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Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )
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STK554427
Synonyms: N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-phenylpropyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
Smiles: O=C(CN1C(=O)c2c(C1=O)cccc2)NCCC(c1ccccc1)C1CCOC(C1)(C)C
STK554428
Synonyms: 1',3',3'-trimethyl-5-nitro-7-(propan-2-yloxy)-1',3'-dihydrospiro[chromene-2,2'-indole]
Smiles: CC(Oc1cc2OC3(C=Cc2c(c1)[N+](=O)[O-])N(C)c1c(C3(C)C)cccc1)C
STK554429
Synonyms: 6-butyl-9-(3,4-dimethylphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(c(c2)C)C)n(nc1C)c1ccccc1
STK554431
Synonyms: ethyl4-({(2E)-3-(3,4-diethoxyphenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)/C(=C\c1ccc(c(c1)OCC)OCC)/NC(=O)c1ccccc1
STK554432
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)C
STK554433
Synonyms: 3-(4-methylphenyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nc2c(c1=O)c1CCCCc1s2
STK554435
Synonyms: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl
STK554437
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)OC)C
STK554438
Synonyms: methyl3-[(3,4-dihydroisoquinolin-2(1H)-ylacetyl)amino]-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1)cccc3)ccc(c2)OC
STK554439
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1c1cccnc1
STK554440
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3
STK554441
Synonyms: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(3-fluorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)F)Nc1ccc(cc1)Cl
STK554442
Synonyms: dimethyl3-methyl-5-{[3-(3-methylphenoxy)propanoyl]amino}thiophene-2,4-dicarboxylate
Smiles: COC(=O)c1c(NC(=O)CCOc2cccc(c2)C)sc(c1C)C(=O)OC
STK554444
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(4-propoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: CCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl
STK554445
Synonyms: methyl3-[(2-bromohexanoyl)amino]-1H-indole-2-carboxylate
Smiles: CCCCC(C(=O)Nc1c([nH]c2c1cccc2)C(=O)OC)Br
STK554446
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1ccc(cc1OC)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3
STK554447
Synonyms: (2E)-2-[(2-methylphenyl)imino]-6-nitro-4H-1,3-benzodithiin-4-one
Smiles: Cc1ccccc1/N=c\1/sc(=O)c2c(s1)ccc(c2)[N+](=O)[O-]
STK554448
Synonyms: ethyl(1S,2S,3S)-3-cyano-1-(2,2-dimethylpropanoyl)-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: CCOC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@H](N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C
STK554449
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(3-chlorobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: Clc1cccc(c1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl
STK554452
Synonyms: 8-chloro-3-{[(E)-(4-fluorophenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Fc1ccc(cc1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl
STK554453
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1
STK554454
Synonyms: (2E)-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)C
STK554455
Synonyms: 8-methyl-3-[3-(propan-2-yloxy)propyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CC(OCCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)C)C
STK554456
Synonyms: 4-[(4aR,4bS,7aR,8S)-8-[(4-chlorophenyl)carbamoyl]-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccc(cc2)Cl)N=CC=C1
STK554457
Synonyms: 3-{[(E)-(3-fluorophenyl)methylidene]amino}-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Cc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)/N=C/c1cccc(c1)F
STK554458
Synonyms: 7-({3-[(1,3-benzodioxol-5-ylmethyl)amino]propyl}amino)-3-tert-butyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: O=c1c2ccccc2c(=O)c2c1c(NCCCNCc1ccc3c(c1)OCO3)cc1c2[nH]c2c(o1)cc(cc2)C(C)(C)C
STK554459
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Br)nc2c(c1=O)cccc2
STK554460
Synonyms: [(1S,2R,3S,3aR)-2-(4-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl](3-nitrophenyl)methanone
Smiles: COc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@H]1[N+](=O)[O-])C=Cc1c2cccc1
STK554461
Synonyms: 2-imino-10-methyl-3-(phenylsulfonyl)-1-(pyridin-4-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: O=c1c2cc(c(=N)n(c2nc2n1cccc2C)Cc1ccncc1)S(=O)(=O)c1ccccc1
STK554462
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl
STK554464
Synonyms: (3aS,4R,9aS,9bR)-2-(3-fluorophenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1cccc(c1)F)C(=O)c1cccc(c1)[N+](=O)[O-]
STK554467
Synonyms: (8S,8aR,11aS,11bS)-8-acetyl-10-(3-bromophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: Brc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C)N=Cc2c1cccc2
STK554469
Synonyms: 2-[(2,5-dimethylbenzyl)sulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nc2c(c1=O)c1CCCCc1s2
STK554470
Synonyms: (5Z)-3-(phenylamino)-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2ccccn2)/C(=O)N1Nc1ccccc1
STK554472
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1)C
STK554473
Synonyms: N-[4-(acetylamino)phenyl]-2-{[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CC(=C)Cn1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)c1CC(C)(C)OCc1s2
STK554474
Synonyms: 3-(4-chlorophenyl)-2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Cc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3
STK554475
Synonyms: 3-(2,2-dimethoxyethyl)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COC(Cn1cnc2c(c1=O)[nH]c1c2cc(cc1)C)OC
STK554476
Synonyms: 2-(2-chloro-6-fluorophenyl)-4-(3-chlorophenyl)-5-phenyl-1H-imidazole
Smiles: Clc1cccc(c1)c1nc([nH]c1c1ccccc1)c1c(F)cccc1Cl
STK554481
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1
STK554482
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-(2,5-dimethoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(c(c1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(c(c1)OC)OC)OC
STK554485
Synonyms: 2'-(4-bromophenyl)-7'-methoxy-4-phenyl-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCC(CC1)c1ccccc1)N1C2CC(=N1)c1ccc(cc1)Br
STK554487
Synonyms: 3-{4-(4-bromophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Smiles: Brc1ccc(cc1)n1c(nnc1c1cccnc1)SCc1cc(C)ccc1C
STK554488
Synonyms: ethyl1-{3-[(1-methyl-8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenoxazin-7-yl)amino]propyl}piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCCNc1cc2oc3cccc(c3[nH]c2c2c1c(=O)c1ccccc1c2=O)C
STK554489
Synonyms: 2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)quinazolin-4(3H)-one
Smiles: CCOc1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C
STK554490
Synonyms: 3-(2-hydroxy-4-nitrophenyl)-5-[4-(pentyloxy)phenyl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1O)[N+](=O)[O-]
STK554491
Synonyms: 5-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccc(c(c1)OC)C1=CC(n2c(N1)ncn2)c1ccc(c(c1)OC)OC
STK554492
Synonyms: 6-(biphenyl-4-yl)-2,3-dimethyl-7-phenylimidazo[1,2-b][1,2,4]triazine
Smiles: Cc1nn2c(nc1C)nc(c2c1ccccc1)c1ccc(cc1)c1ccccc1
STK554493
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1
STK554494
Synonyms: ethyl1-{3-[(3-tert-butyl-8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenoxazin-7-yl)amino]propyl}piperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)CCCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C
STK554495
Synonyms: 3-(4-bromophenyl)-2-[(2,5-dimethylbenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nc2c(c1=O)cccc2
STK554496
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3
STK554497
Synonyms: 2-{[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4,6-di(thiophen-2-yl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)N2CCN(CC2)C)nc(cc1c1cccs1)c1cccs1
STK554498
Synonyms: 1-benzyl-9'-bromo-2'-(2,4-dimethoxyphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cc(OC)ccc1C1=NN2C(C1)c1cc(Br)ccc1OC12CCN(CC1)Cc1ccccc1
STK554499
Synonyms: (9E)-9-(2-chlorobenzylidene)-5-(2-chlorophenyl)-7-methyl-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
Smiles: CN1C/C(=C\c2ccccc2Cl)/C2=C(C1)C(c1ccccc1Cl)n1c(=N2)scc1c1ccc(cc1)C
STK554500
Synonyms: 7-[2-(4-chlorophenyl)-2-oxoethoxy]-8-iodo-3,4-dimethyl-2H-chromen-2-one
Smiles: Clc1ccc(cc1)C(=O)COc1ccc2c(c1I)oc(=O)c(c2C)C
STK554501
Synonyms: methyl3-[(E)-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}diazenyl]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/N=N/N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)cccc2
STK554502
Synonyms: N-[(4E)-8-ethoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-ylidene]-N'-phenylbenzene-1,4-diamine
Smiles: CCOc1ccc/c(=N\c2ccc(cc2)Nc2ccccc2)/c2c1c(C)oc2C
STK554503
Synonyms: 1-(2-{[4-(dimethylamino)-6-(methylsulfanyl)-1,3,5-triazin-2-yl]oxy}ethyl)-3-phenylurea
Smiles: CSc1nc(OCCNC(=O)Nc2ccccc2)nc(n1)N(C)C
STK554504
Synonyms: 3-(4-bromophenyl)-2-[(3-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(SCc2cccc(c2)Cl)nc2c(c1=O)cccc2
STK554507
Synonyms: 2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}propanoicacid
Smiles: OC(=O)C(Sc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C
STK554508
Synonyms: 17-[2-(piperazin-1-yl)ethyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione(non-preferredname)
Smiles: O=C1C2C(C(=O)N1CCN1CCNCC1)C1c3c(C2c2c1cccc2)cccc3
STK554509
Synonyms: 6-ethyl-6-methyl-2-(methylsulfanyl)-3-phenyl-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CCC1(C)SCc2c(C1)c1c(s2)nc(n(c1=O)c1ccccc1)SC
STK554510
Synonyms: 6-butyl-9-(4-ethylphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)CC)n(nc1C)c1ccccc1
STK554511
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(3-methoxyphenyl)carbonyl]-3'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2
STK554512
Synonyms: 3,3'-(hydroxyimino)bis[1-(2-nitrophenyl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccccc1[N+](=O)[O-])C1CC(=O)N(C1=O)c1ccccc1[N+](=O)[O-]
STK554514
Synonyms: methyl5-methyl-3-({[(1R,2S)-2-phenylcyclopropyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1)cc(cc2)C
STK554516
Synonyms: 3-{[6,6-dimethyl-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
Smiles: OCCCNC1NC(=Nc2c1c1CC(C)(C)OCc1s2)SC
STK554517
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(3-nitrobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: O=c1nc2s/c(=C\c3cccc(c3)[N+](=O)[O-])/c(=O)n2nc1Cc1ccccc1Cl
STK554518
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3)C
STK554520
Synonyms: 5-(4-bromophenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Cc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC2c1ccc(cc1)Br
STK554521
Synonyms: 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br
STK554522
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1)C
STK554523
Synonyms: 5-(4-bromophenyl)-9-chloro-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)Br)c1ccccc1
STK554525
Synonyms: 3-chloro-N-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)Cl
STK554526
Synonyms: (6Z)-5-imino-2-[(2-methylphenoxy)methyl]-6-{[1-(naphthalen-1-ylmethyl)-1H-indol-3-yl]methylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cn(c2c1cccc2)Cc1cccc2c1cccc2)COc1ccccc1C
STK554527
Synonyms: 4-{(1E)-2-(acetylamino)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-1-yl}phenyl4-methylbenzenesulfonate
Smiles: CC(=O)N/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)NCCc1ccccc1
STK554528
Synonyms: 3-(4-bromophenyl)-2-[(3-chlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(SCc2cccc(c2)Cl)nc2c(c1=O)c1CCCCc1s2
STK554529
Synonyms: 3-butyl-11-(4-phenoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)Oc1ccccc1
STK554530
Synonyms: 9-bromo-2-(4-chlorophenyl)-5-(pyridin-3-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1cccnc1)c1ccc(cc1)Cl
STK554532
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(2-chlorobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: Clc1ccccc1Cc1nn2c(nc1=O)s/c(=C\c1ccccc1Cl)/c2=O
STK554533
Synonyms: benzyl{4-(methylsulfanyl)-1-oxo-1-[(pyridin-3-ylmethyl)amino]butan-2-yl}carbamate
Smiles: CSCCC(C(=O)NCc1cccnc1)NC(=O)OCc1ccccc1
STK554536
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(naphthalen-2-yl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C
STK554538
Synonyms: 9'-bromo-2'-[4-(difluoromethoxy)phenyl]-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: FC(Oc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC12CCN(CC1)C(C)C)F
STK554539
Synonyms: (5Z)-3-(4-chlorophenyl)-5-[4-(octyloxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)Cl
STK554541
Synonyms: 2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Smiles: Clc1ccc(c(c1)Cl)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3
STK554542
Synonyms: 7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccccc1C1C=C(Nc2n1ncn2)c1ccc(cc1)C
STK554543
Synonyms: (6Z)-5-imino-2-[(2-methylphenoxy)methyl]-6-({1-[3-(2-methylphenoxy)propyl]-1H-indol-3-yl}methylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccccc1OCCCn1cc(c2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C
STK554544
Synonyms: methyl6-methoxy-3-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F)ccc(c2)OC
STK554546
Synonyms: (8S,8aR,11aS,11bS)-8-acetyl-10-(4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: CC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-]
STK554547
Synonyms: 2'-(2,3-dihydro-1,4-benzodioxin-6-yl)-7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C)N1C2CC(=N1)c1ccc2c(c1)OCCO2
STK554550
Synonyms: 3-[5-(4-bromophenyl)-5-hydroxy-3-phenyl-1,2-oxazolidin-2-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N1OC(CC1c1ccccc1)(O)c1ccc(cc1)Br
STK554551
Synonyms: 3-tert-butyl-7-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: O=c1c2ccccc2c(=O)c2c1c(NCCCN1CCc3c(C1)cccc3)cc1c2[nH]c2c(o1)cc(cc2)C(C)(C)C
STK554552
Synonyms: 2-(benzylsulfanyl)-3-(4-chlorophenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)n1c(SCc2ccccc2)nc2c(c1=O)c1CCCc1s2
STK554554
Synonyms: 3-(4-chlorophenyl)-2-[(3,4-dichlorobenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)n1c(SCc2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CCCc1s2
STK554555
Synonyms: ethyl5-methoxy-1,2-dimethyl-4-{[(3-methylpiperidin-1-yl)acetyl]amino}-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCCC(C1)C)c(OC)cc2)C
STK554556
Synonyms: 5-(4-butoxyphenyl)-3-(4-hydroxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)O
STK554558
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1
STK554559
Synonyms: 8-[3-(hexyloxy)phenyl]-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CCCCCCOc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1
STK554560
Synonyms: {(2Z)-2-[(2E)-(2,4-dihydroxybenzylidene)hydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl}aceticacid
Smiles: OC(=O)CC1S/C(=N\N=C\c2ccc(cc2O)O)/N(C1=O)C
STK554561
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1
STK554562
Synonyms: (5Z)-5-(2,3-dimethoxybenzylidene)-2-(phenylamino)-1,3-thiazol-4(5H)-one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=NC1=O)Nc1ccccc1
STK554563
Synonyms: 4-({[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoicacid
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)O)nc2c(c1=O)c1CCCCc1s2
STK554564
Synonyms: (iodomethyl)(diphenyl)phosphaneoxide
Smiles: ICP(=O)(c1ccccc1)c1ccccc1
STK554567
Synonyms: methyl3-{(E)-[4-(2-fluorophenyl)piperazin-1-yl]diazenyl}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/N=N/N1CCN(CC1)c1ccccc1F)cccc2
STK554569
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethoxyphenyl)ethanone
Smiles: CCOc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1
STK554571
Synonyms: 8-methoxy-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: COc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C
STK554572
Synonyms: 5-(methylsulfanyl)-8,9,10,11-tetrahydro-7H-[1,2,4]triazolo[1',5':1,6]pyrimido[4,5-b]indole
Smiles: CSc1nc2[nH]c3c(c2c2n1ncn2)CCCC3
STK554574
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-[4-(prop-2-en-1-yloxy)benzylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: C=CCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(c(c1)OC)OC
STK554575
Synonyms: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(4-fluorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)Nc1ccc(cc1)Cl
STK554576
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3
STK554578
Synonyms: 5-(4-bromophenyl)-3-(3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cccc(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)Br
STK554579
Synonyms: ethyl4-{[(4-benzylpiperazin-1-yl)acetyl]amino}-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCN(CC1)Cc1ccccc1)c(OC)cc2)C
STK554580
Synonyms: ethyl4-({[4-(2-fluorophenyl)piperazin-1-yl]acetyl}amino)-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCN(CC1)c1ccccc1F)c(OC)cc2)C
STK554581
Synonyms: 2-imino-1-(4-methylbenzyl)-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: Cc1ccc(cc1)Cn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1
STK554582
Synonyms: ethyl4-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1CSc1nc2c(s1)cccc2
STK554584
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-(1-heptyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: CCCCCCCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(c(=O)n3)Cc2ccc(c(c2)OC)OC)/C1=O
STK554585
Synonyms: 9,9-dimethyl-12-(morpholin-4-yl)-3,4,8,11-tetrahydro-2H,9H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e]pyrimido[1,2-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncn1c2=NCCC1
STK554587
Synonyms: 1,3-dimethyl-8-(3-methylphenyl)-7-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1cccc(c1)n1c2nc3c(n2cc1C12CC4CC(C2)CC(C1)C4)c(=O)n(c(=O)n3C)C
STK554588
Synonyms: N-(3-bromophenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C
STK554589
Synonyms: methyl3-({3-[4-(3-chlorophenyl)piperazin-1-yl]propanoyl}amino)-5-fluoro-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)Cl)cc(cc2)F
STK554590
Synonyms: 6-iodo-2-methyl-3-(naphthalen-2-yl)quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)C)c1ccc2c(c1)cccc2
STK554592
Synonyms: 3-chloro-N-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]benzamide
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2cccc(c2)Cl)cc(c1OC)OC
STK554593
Synonyms: 2-(3-bromo-2,6-dimethyl-4-oxoquinolin-1(4H)-yl)-N-(3,4-dimethylphenyl)acetamide
Smiles: Cc1ccc2c(c1)c(=O)c(c(n2CC(=O)Nc1ccc(c(c1)C)C)C)Br
STK554594
Synonyms: (2E)-3-[(5-methoxy-2-methyl-4-nitrophenyl)amino]-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)CC(C)C
STK554595
Synonyms: (2Z)-2-(4-{3-[2-(butan-2-yl)phenoxy]propoxy}-3-ethoxybenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: CCOc1cc(ccc1OCCCOc1ccccc1C(CC)C)/C=c/1\sc2n(c1=O)c1c(n2)cccc1
STK554596
Synonyms: 3-(4-bromophenyl)-2-[(2-chlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Brc1ccc(cc1)n1c(SCc2ccccc2Cl)nc2c(c1=O)c1CCCCc1s2
STK554597
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1
STK554598
Synonyms: 3-(4-chlorophenyl)-2-{[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COc1ccc(c(c1)C(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3)OC
STK554599
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3
STK554600
Synonyms: 3-methyl-7-{[3-(4-phenylpiperazin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCCN1CCN(CC1)c1ccccc1)c(=O)c1c(c2=O)cccc1
STK554602
Synonyms: 3-({(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylidene}amino)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc(cc1CN1CCCC1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)C
STK554603
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)OC)C
STK554604
Synonyms: 3-butyl-6-chloro-10-phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccccc2)cccc1Cl
STK554605
Synonyms: 3-tert-butyl-7-{[3-(3-methylpiperidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CC1CCCN(C1)CCCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C
STK554606
Synonyms: 2'-(2,4-dimethoxyphenyl)-7'-methoxy-1-(propan-2-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1ccc(c(c1)OC)C1=NN2C(C1)c1cccc(c1OC12CCN(CC1)C(C)C)OC
STK554607
Synonyms: 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)Cl
STK554608
Synonyms: 2'-(2,4-dimethoxyphenyl)-7'-methoxy-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1ccc(c(c1)OC)C1=NN2C(C1)c1cccc(c1OC12CCN(CC1)C)OC
STK554609
Synonyms: 8-(benzyloxy)-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3OCc1ccccc1
STK554611
Synonyms: 3-(3-methoxyphenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
STK554612
Synonyms: N-[4-(benzyloxy)phenyl]-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1
STK554614
Synonyms: 8-(benzyloxy)-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CC(c1nc2sc3c(c2c2c1CCCC2)ncnc3OCc1ccccc1)C
STK554615
Synonyms: 4-acetyl-5-hydroxy-3-(4-methoxyphenyl)cyclohex-4-ene-1,1,2,2-tetracarbonitrile
Smiles: COc1ccc(cc1)C1C(=C(O)CC(C1(C#N)C#N)(C#N)C#N)C(=O)C
STK554617
Synonyms: 3-butyl-10-(4-ethylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)CC)cccc1
STK554619
Synonyms: 3,3'-(hydroxyimino)bis[1-(naphthalen-1-yl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1cccc2c1cccc2)C1CC(=O)N(C1=O)c1cccc2c1cccc2
STK554620
Synonyms: ethyl5-methoxy-1,2-dimethyl-4-[(thiophen-2-ylcarbonyl)amino]-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2c(NC(=O)c3cccs3)c(OC)ccc2n(c1C)C
STK554621
Synonyms: methyl3-({[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl}amino)-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cc(Cl)ccc1C)ccc(c2)OC
STK554622
Synonyms: 2-[(3-chlorobenzyl)sulfanyl]-3-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(SCc2cccc(c2)Cl)nc2c(c1=O)cccc2
STK554623
Synonyms: 8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: C/C(=C\CSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C)/Cl
STK554624
Synonyms: (1E)-N-{[(2-fluorophenyl)carbamoyl]oxy}ethanimidoylchloride
Smiles: O=C(Nc1ccccc1F)O/N=C(/Cl)\C
STK554625
Synonyms: 5-(furan-2-yl)-2,2-dimethyl-N-(3-methylbutyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CC(CCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1)C
STK554626
Synonyms: (2'S,3'S)-3'-acetyl-2'-phenyl-2',3'-dihydro-10b'H-spiro[indene-2,1'-pyrrolo[2,1-a]phthalazine]-1,3-dione
Smiles: CC(=O)[C@H]1N2N=Cc3c(C2[C@@]2([C@@H]1c1ccccc1)C(=O)c1c(C2=O)cccc1)cccc3
STK554628
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1
STK554629
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1
STK554630
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: CC1Oc2ccccc2C=C1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl
STK554631
Synonyms: (8S,8aR,11aS,11bS)-8-acetyl-10-(4-acetylphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C
STK554633
Synonyms: N-(2-bromo-4-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Br)C)nc2c(c1=O)cccc2
STK554634
Synonyms: methyl5-fluoro-3-({3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1OC)cc(cc2)F
STK554635
Synonyms: methyl3-({[4-(pyridin-2-yl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccn1)cccc2
STK554636
Synonyms: 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(4-chloro-2-methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br
STK554637
Synonyms: N-(2-bromophenyl)-2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Br)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1
STK554638
Synonyms: N-(4-chloro-2-methylphenyl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Cl)nnc1c1ccc(cc1)Cl
STK554639
Synonyms: 4-{(1E)-2-(acetylamino)-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-1-yl}phenyl4-methylbenzenesulfonate
Smiles: CC(=O)N/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)NCc1ccco1
STK554640
Synonyms: 5-(3-chloro-2-methylphenyl)-2-phenyl-3-(thiophen-2-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2ON(C(C2C(=O)N1c1cccc(c1C)Cl)c1cccs1)c1ccccc1
STK554641
Synonyms: (2E)-2-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxybenzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: COc1cc(ccc1OCCOc1ccc(c(c1)C)Cl)/C=c\1/sc2n(c1=O)c1c(n2)cccc1
STK554642
Synonyms: N-(3,4-dichlorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C
STK554643
Synonyms: methyl(1S,2S,3S)-3-cyano-2-(3,4-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(c(c2)OC)OC)[C@H](N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C
STK554645
Synonyms: methyl3-{[(4-benzylpiperazin-1-yl)acetyl]amino}-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)ccc(c2)OC
STK554646
Synonyms: methyl(1R,2R,3R,3aS)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3c(N2[C@H]([C@@H]1c1ccco1)C(=O)C(C)(C)C)cccc3
STK554647
Synonyms: (2Z)-2-(4-bromobenzylidene)-6-(3,4-dimethoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(cc1)Br)/c2=O
STK554648
Synonyms: (5E)-5-(3,4-diethoxybenzylidene)-2,3-diphenyl-3,5-dihydro-4H-imidazol-4-one
Smiles: CCOc1cc(ccc1OCC)/C=C\1/N=C(N(C1=O)c1ccccc1)c1ccccc1
STK554649
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(1H-indazol-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)[nH]nc2)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl
STK554651
Synonyms: methyl3-{[3-(3,5-dimethylpiperidin-1-yl)propanoyl]amino}-5-fluoro-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CC(C)CC(C1)C)cc(cc2)F
STK554652
Synonyms: N-(4-chlorophenyl)-2-[(10-phenyl-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1
STK554653
Synonyms: 4-[({[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzamide
Smiles: O=C(Nc1ccc(cc1)C(=O)N)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3
STK554654
Synonyms: 1-ethyl-7'-methoxy-2'-(pyridin-3-yl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1cccnc1
STK554655
Synonyms: 2-{[5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1
STK554656
Synonyms: N-(3,5-dimethylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)C)nc2c(c1=O)cccc2
STK554657
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(4-methoxyphenyl)carbonyl]-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1
STK554659
Synonyms: 3-[hydroxy(phenyl)amino]-1-[4-(pentyloxy)phenyl]pyrrolidine-2,5-dione
Smiles: CCCCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(c1ccccc1)O
STK554660
Synonyms: (3-nitrophenyl)[(1S,2R,3S,3aR)-3-nitro-2-phenyl-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]methanone
Smiles: [O-][N+](=O)[C@H]1[C@H](c2ccccc2)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1cccc(c1)[N+](=O)[O-]
STK554662
Synonyms: (5Z)-3-(naphthalen-2-yl)-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2ccccn2)/C(=O)N1c1ccc2c(c1)cccc2
STK554663
Synonyms: 4-[(1E)-2-(acetylamino)-3-(butylamino)-3-oxoprop-1-en-1-yl]phenyl4-methylbenzenesulfonate
Smiles: CCCCNC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)C
STK554664
Synonyms: N-(4-bromo-2-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Br)nnc1c1cccnc1
STK554665
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-[(3-methylthiophen-2-yl)methylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1cc(ccc1OC)Cc1nn2c(nc1=O)s/c(=C\c1sccc1C)/c2=O
STK554666
Synonyms: 3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC(C1OCc2c(C1)c1c(s2)ncn2c1nnc2SCc1ccc2c(c1)OCO2)C
STK554667
Synonyms: 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br
STK554668
Synonyms: propan-2-yl{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3)C
STK554669
Synonyms: 2,2'-[(11-tert-butyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl)disulfanediyl]diacetamide
Smiles: NC(=O)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)N)nn1)CCC(C3)C(C)(C)C
STK554670
Synonyms: 4-({[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CCCC3
STK554672
Synonyms: 3,3'-(hydroxyimino)bis[1-(4-nitrophenyl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccc(cc1)[N+](=O)[O-])C1CC(=O)N(C1=O)c1ccc(cc1)[N+](=O)[O-]
STK554673
Synonyms: 7-({3-[(2-hydroxyethyl)(methyl)amino]propyl}amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: OCCN(CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C
STK554674
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-[4-(dimethylamino)benzylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(cc1)N(C)C)/c2=O
STK554675
Synonyms: 3-(4-ethoxyphenyl)-2-[(2-fluorobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2ccccc2F)nc2c(c1=O)cccc2
STK554676
Synonyms: 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nc2c(c1=O)c1CCCCc1s2
STK554677
Synonyms: methyl2-[(5-bromopyridin-2-yl)amino]-3,3,3-trifluoro-N-[(3-fluorophenyl)carbonyl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1cccc(c1)F)Nc1ccc(cn1)Br
STK554678
Synonyms: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1ccc(co1)C(=O)NCc1ccc2c(c1)OCO2
STK554679
Synonyms: 2-[(E)-2-(4-chloro-2-nitrophenyl)ethenyl]-6-iodo-3-(4-methylphenyl)quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(/C=C/c2ccc(cc2[N+](=O)[O-])Cl)nc2c(c1=O)cc(cc2)I
STK554680
Synonyms: 2-(phenoxymethyl)-3-{[(E)-phenylmethylidene]amino}quinazolin-4(3H)-one
Smiles: O=c1n(/N=C/c2ccccc2)c(COc2ccccc2)nc2c1cccc2
STK554681
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-(3,4,5-trimethoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1cc(OC)c(c(c1)OC)OC)/c2=O
STK554682
Synonyms: N-(3,4-difluorophenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nc2c(c1=O)c1CCCCc1s2
STK554684
Synonyms: methyl(1S,2S,3S)-3-cyano-1-(2,2-dimethylpropanoyl)-2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)[N+](=O)[O-])[C@H](N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C
STK554685
Synonyms: N-[5-(acetylamino)-2-methoxyphenyl]-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)NC(=O)C
STK554687
Synonyms: 8-chloro-3-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: Clc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)/N=C/c1ccc(cc1)C(C)C
STK554688
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(4-fluorobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: Fc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl
STK554689
Synonyms: (8S,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C)N=Cc2c1cccc2)[N+](=O)[O-]
STK554691
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3
STK554692
Synonyms: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1H-indazol-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)[nH]nc2)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl
STK554693
Synonyms: 3-butyl-6-chloro-10-(4-chlorophenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)Cl)cccc1Cl
STK554695
Synonyms: 6,8-dichloro-9-(diethylamino)-1,4-dioxaspiro[4.4]non-8-en-7-one
Smiles: CCN(C1=C(Cl)C(=O)C(C21OCCO2)Cl)CC
STK554696
Synonyms: ethyl4-(6-butyl-3-methyl-5,7-dioxo-1-phenyl-1,5,6,7-tetrahydro-9H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidin-9-yl)benzoate
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)C(=O)OCC)n(nc1C)c1ccccc1
STK554697
Synonyms: methyl3-[(2-bromohexanoyl)amino]-5-methyl-1H-indole-2-carboxylate
Smiles: CCCCC(C(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC)Br
STK554698
Synonyms: 3-(biphenyl-4-yl)-1-(2-hydroxyethyl)-7,9-dimethyl-4-phenyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: OCCN1N=C(c2ccc(cc2)c2ccccc2)C(n2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1
STK554699
Synonyms: 2-phenyl-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: c1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2
STK554700
Synonyms: 2-[(5-ethyl-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-[(1-phenylcyclopentyl)methyl]acetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)NCC1(CCCC1)c1ccccc1)nn2)CC(OC3)(C)C
STK554702
Synonyms: 11-(2,3-dimethoxyphenyl)-N-(3-methoxyphenyl)-10-methyl-8-(pyridin-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-amine
Smiles: COc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2OC)OC)c(nn1c1ccccn1)C
STK554704
Synonyms: N-(2,6-dichlorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1c1cccnc1
STK554705
Synonyms: 3-hydroxy-2-[(2E)-2-(3-hydroxybenzylidene)hydrazinyl]quinazolin-4(3H)-one
Smiles: Oc1cccc(c1)/C=N/Nc1nc2ccccc2c(=O)n1O
STK554706
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1
STK554709
Synonyms: (1'S,2'S,3R,3a'R)-2'-(furan-2-ylcarbonyl)-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)c1ccccc1
STK554710
Synonyms: 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br
STK554711
Synonyms: 7-({3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: COc1ccccc1N1CCN(CC1)CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O
STK554712
Synonyms: N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)undec-10-enehydrazide
Smiles: C=CCCCCCCCCC(=O)NNC1CC(=O)N(C1=O)c1ccccc1
STK554713
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3
STK554714
Synonyms: 5-(3,4-dichlorophenyl)-3-(3-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C2C1C(c1cccc(c1)[N+](=O)[O-])N(O2)c1ccccc1
STK554715
Synonyms: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl
STK554717
Synonyms: 3-[hydroxy(phenyl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione
Smiles: Cc1cccc(c1)N1C(=O)CC(C1=O)N(c1ccccc1)O
STK554718
Synonyms: 7-({3-[benzyl(methyl)amino]propyl}amino)-3-tert-butyl-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CN(Cc1ccccc1)CCCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C
STK554719
Synonyms: N-[5-(acetylamino)-2-methoxyphenyl]-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(ccc2OC)NC(=O)C)nnc1c1cccnc1
STK554720
Synonyms: ethyl5,5-dimethyl-2-[(phenylcarbamoyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CC(C)(C)OC2
STK554722
Synonyms: 9-(4-bromophenyl)-6-butyl-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7(6H,9H)-dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)Br)n(nc1C)c1ccccc1
STK554723
Synonyms: 11-(9-ethyl-9H-carbazol-3-yl)-3-pentyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc2c(c1)c1ccccc1n2CC
STK554724
Synonyms: methyl4-[({[3-(4-chlorophenyl)-4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3
STK554726
Synonyms: N-(2,5-dimethylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C
STK554727
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl
STK554728
Synonyms: 1,3-dimethyl-2,6-diphenylpiperidin-4-ol
Smiles: CC1C(O)CC(N(C1c1ccccc1)C)c1ccccc1
STK554729
Synonyms: 1-(2-bromophenyl)-3-[hydroxy(phenyl)amino]pyrrolidine-2,5-dione
Smiles: ON(C1CC(=O)N(C1=O)c1ccccc1Br)c1ccccc1
STK554730
Synonyms: 2-[(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C
STK554732
Synonyms: 3,3'-(hydroxyimino)bis[1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1c(C)cccc1C)C1CC(=O)N(C1=O)c1c(C)cccc1C
STK554733
Synonyms: N-(2-bromo-4,6-difluorophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(F)cc(cc1Br)F)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl
STK554734
Synonyms: 2-amino-N-(4-fluorobenzyl)-1-(furan-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccco1
STK554735
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(3,4-dimethoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1cc(ccc1OC)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl
STK554736
Synonyms: 1-benzyl-2'-(2,4-dichlorophenyl)-7'-methoxy-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1ccc(cc1Cl)Cl
STK554737
Synonyms: (3aS,4R,9aS,9bR)-2-(4-bromophenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccc(cc1)Br)C(=O)c1cccc(c1)[N+](=O)[O-]
STK554738
Synonyms: dimethyl5-{[(4-butoxyphenyl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)OC
STK554740
Synonyms: 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1c(Cl)cccc1Cl
STK554741
Synonyms: 2-[(2,5-dimethylbenzyl)sulfanyl]-3-(4-methylphenyl)quinazolin-4(3H)-one
Smiles: Cc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nc2c(c1=O)cccc2
STK554742
Synonyms: 7-{[3-(pyrrolidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: O=c1c2ccccc2c(=O)c2c1c1[nH]c3ccccc3oc1cc2NCCCN1CCCC1
STK554744
Synonyms: 7-{[3-(4-methylpiperazin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CN1CCN(CC1)CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O
STK554746
Synonyms: 3-bromo-N-[4-(4,4-dimethyl-3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)benzyl]aniline
Smiles: Brc1cccc(c1)NCc1ccc(cc1)N1N=C(C(C1c1ccccc1)(C)C)c1ccccc1
STK554748
Synonyms: 3,3'-(hydroxyimino)bis[1-(4-bromophenyl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccc(cc1)Br)C1CC(=O)N(C1=O)c1ccc(cc1)Br
STK554749
Synonyms: (6Z)-6-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Fc1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
STK554750
Synonyms: N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1c(C)nn(c1Cl)c1ccccc1
STK554751
Synonyms: 3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(cc1)N(C)C
STK554752
Synonyms: 9-bromo-5-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(s1)C)Br
STK554755
Synonyms: N-(4-ethoxyphenyl)-2-[(5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3
STK554757
Synonyms: 2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc(c2)C)c2c(n1)sc1c2CC(OC1)(C)CC
STK554758
Synonyms: 3-(2-methoxyphenyl)-6-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1ccccc1C
STK554759
Synonyms: 5-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(c(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)Cl)OC
STK554760
Synonyms: 11-(ethylsulfanyl)-1-[(3-methylbutyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclopentane]
Smiles: CCSc1nc2c3ccccc3CC3(c2c2n1c(SCCC(C)C)nn2)CCCC3
STK554761
Synonyms: (6Z)-5-imino-6-{4-[2-(4-methylphenoxy)ethoxy]benzylidene}-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(cc1)OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1
STK554762
Synonyms: (8S,8aR,11aS,11bS)-10-(4-fluorophenyl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2
STK554763
Synonyms: 2-[(naphthalen-2-yloxy)methyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: c1ccc2c(c1)CC1(c3c2ncn2c3nc(n2)COc2ccc3c(c2)cccc3)CCCC1
STK554764
Synonyms: N,N-diethyl-2-{[4-(3-methoxyphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)N(CC)CC
STK554765
Synonyms: 3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O
STK554766
Synonyms: (5Z)-5-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: Clc1ccc(c(c1)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-])Cl
STK554767
Synonyms: 3-butyl-8,8-dimethyl-7,10-dihydro-8H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CCCCn1cnc2c(c1=O)sc1c2cc2c(n1)CC(SC2)(C)C
STK554768
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(3-nitrophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-]
STK554770
Synonyms: 2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1ncnc2c1sc1c2cc2c(n1)CC(OC2)(C)C
STK554771
Synonyms: 6-(4-ethoxyphenyl)-3-(furan-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccco1
STK554772
Synonyms: 1-[(3,4-dimethoxybenzyl)oxy]-3-(3-nitrophenyl)quinoxalin-2(1H)-one4-oxide
Smiles: COc1cc(ccc1OC)COn1c2ccccc2[n+](c(c1=O)c1cccc(c1)[N+](=O)[O-])[O-]
STK554774
Synonyms: (6Z)-6-{[1-(1,3-benzodioxol-5-ylmethyl)-1H-indol-3-yl]methylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCC(c1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)Cc3ccc4c(c3)OCO4)/C2=N)s1)CC
STK554775
Synonyms: 3-[(1E)-2-(4-ethoxyphenyl)-2-oxo-1-(2-phenylhydrazinylidene)ethyl]quinoxalin-2(1H)-one
Smiles: CCOc1ccc(cc1)C(=O)/C(=N/Nc1ccccc1)/c1nc2ccccc2[nH]c1=O
STK554776
Synonyms: N-(2-chlorophenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3
STK554777
Synonyms: (6Z)-6-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1cccc(c1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK554778
Synonyms: 10-(morpholin-4-yl)-8,9-dihydro-7H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCC2)ncn1c3ncn1
STK554779
Synonyms: N-(4-bromophenyl)-2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)CC
STK554781
Synonyms: N-(4-chlorophenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3
STK554782
Synonyms: (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-6-(2-methoxyphenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1OC
STK554783
Synonyms: 3-(2-chloroquinolin-3-yl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc2ccccc2nc1Cl
STK554785
Synonyms: (6Z)-6-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxybenzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCc1ccccc1F)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK554786
Synonyms: 3-(4-chlorophenyl)-5-(naphthalen-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc2c(c1)cccc2
STK554787
Synonyms: 5-(4-chlorophenyl)-3-(2-hydroxy-4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1O)[N+](=O)[O-]
STK554788
Synonyms: N~2~-(4-methoxyphenyl)-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)NCC1CCCO1)[N+](=O)[O-]
STK554789
Synonyms: 4-[(8S,8aR,11aS,11bS)-9,11-dioxo-8-(phenylcarbonyl)-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)c1ccccc1
STK554790
Synonyms: 2,5-diphenyl-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C(c1cccnc1)N(O2)c1ccccc1
STK554792
Synonyms: 9-bromo-5-[4-(hexyloxy)-3-methoxyphenyl]-2-(5-methylfuran-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: CCCCCCOc1ccc(cc1OC)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(o1)C)Br
STK554793
Synonyms: (6Z)-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-6-[4-(2-phenoxyethoxy)benzylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCOc3ccccc3)/C2=N)s1
STK554794
Synonyms: 3-(3-ethoxyphenyl)-6-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)OC
STK554795
Synonyms: 2-({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCc1nc2c([nH]1)cccc2
STK554796
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)C
STK554797
Synonyms: 3-(4-nitrophenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C(c1ccc(cc1)[N+](=O)[O-])N(O2)c1ccccc1
STK554798
Synonyms: 4-[3-(4-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline
Smiles: CCN(c1ccc(cc1)c1sc2n(n1)c(nn2)c1ccc(cc1)Cl)CC
STK554799
Synonyms: 6-iodo-3-(4-methoxyphenyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(SCC(=O)N2CCOCC2)nc2c(c1=O)cc(cc2)I
STK554803
Synonyms: 5-nitro-N~2~-(2-phenylethyl)-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCCc1ccccc1
STK554804
Synonyms: (6Z)-5-imino-6-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)[N+](=O)[O-])/C2=N)s1
STK554805
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3
STK554806
Synonyms: (5-methoxy-2-methyl-1H-indol-3-yl)[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
Smiles: COc1ccc2c(c1)c(c([nH]2)C)C(=O)N1CCN(C(C1)C)c1cccc(c1)C
STK554807
Synonyms: 3-(3-chlorophenyl)-6-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1cccc(c1)Cl
STK554808
Synonyms: N-carbamimidoyl-4-({(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]
STK554809
Synonyms: 2-methoxy-6-{4-[(2-methylcyclohexyl)amino]quinazolin-2-yl}phenol
Smiles: COc1cccc(c1O)c1nc(NC2CCCCC2C)c2c(n1)cccc2
STK554810
Synonyms: 2-(4-{[2-(morpholin-4-yl)ethyl]amino}quinazolin-2-yl)phenol
Smiles: Oc1ccccc1c1nc(NCCN2CCOCC2)c2c(n1)cccc2
STK554811
Synonyms: 2-{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1
STK554812
Synonyms: (8S,8aR,11aS,11bS)-10-(4-nitrophenyl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1
STK554813
Synonyms: (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-6-(4-methylphenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C
STK554816
Synonyms: (6Z)-6-[3-chloro-4-(3-phenoxypropoxy)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCCCOc1ccccc1)c1cccnc1
STK554818
Synonyms: methyl{[3-(4-ethoxyphenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)OC)nc2c(c1=O)c1CC(C)(C)OCc1s2
STK554819
Synonyms: (6Z)-6-[3-ethoxy-4-(3-phenoxypropoxy)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCCCOc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK554821
Synonyms: 10-ethyl-10-methyl-3-(methylsulfanyl)-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SC)nn2)CC(OC3)(C)CC
STK554823
Synonyms: N-(3-chlorophenyl)-2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc(c2)Cl)c2c(n1)sc1c2CC(OC1)(C)CC
STK554824
Synonyms: 6-(2-chlorophenyl)-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1Cl
STK554828
Synonyms: 5-nitro-2-(piperidin-1-yl)-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)N1CCCCC1
STK554829
Synonyms: 6-(4-ethylpiperazin-1-yl)-N~2~-(3-fluorophenyl)-5-nitropyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cccc(c2)F)nc(c1[N+](=O)[O-])N
STK554830
Synonyms: 2-imino-1-(4-methylbenzyl)-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: Cc1ccc(cc1)Cn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NC(c1ccccc1)C
STK554831
Synonyms: 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Br
STK554832
Synonyms: 5-nitro-2-(pyrrolidin-1-yl)-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)N1CCCC1
STK554834
Synonyms: 2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)OC)nn2)CC(OC3)(C)CC
STK554836
Synonyms: (5Z)-5-(2-chlorobenzylidene)-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1ccccc1C
STK554837
Synonyms: N-(3-chlorophenyl)-2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)Nc1cccc(c1)Cl)SC
STK554838
Synonyms: N~4~-(4-ethoxyphenyl)-N~2~-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCC(C)C)nc(c1[N+](=O)[O-])N
STK554839
Synonyms: 4-[({[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3
STK554840
Synonyms: 1-[(3,4-dimethoxybenzyl)oxy]-3-(naphthalen-1-yl)quinoxalin-2(1H)-one4-oxide
Smiles: COc1cc(ccc1OC)COn1c2ccccc2[n+](c(c1=O)c1cccc2c1cccc2)[O-]
STK554841
Synonyms: 2-chloro-N-{[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}benzamide
Smiles: COc1ccc(cc1)C1(CCOCC1)CNC(=O)c1ccccc1Cl
STK554842
Synonyms: N-[(2Z)-3-[2-(morpholin-4-yl)ethyl]-4-[3-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2(3H)-ylidene]aniline
Smiles: O=S(=O)(c1cccc(c1)c1cs/c(=N\c2ccccc2)/n1CCN1CCOCC1)N1CCOCC1
STK554843
Synonyms: 5-({4-[hydroxy(diphenyl)methyl]piperidin-1-yl}carbonyl)-2H-pyran-2-one
Smiles: O=c1ccc(co1)C(=O)N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O
STK554845
Synonyms: 2,2-diphenyl-N-(4-{[(2E)-2-(3,4,5-trimethoxybenzylidene)hydrazinyl]carbonyl}phenyl)acetamide
Smiles: COc1cc(/C=N/NC(=O)c2ccc(cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc(c1OC)OC
STK554847
Synonyms: 2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(4-methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)NC(=O)C(Sc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C
STK554848
Synonyms: N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1
STK554849
Synonyms: 2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK554850
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1Cl)Cl
STK554851
Synonyms: 2-[(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N,N-diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1
STK554853
Synonyms: 2-[(E)-{2-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenylbenzenesulfonate
Smiles: Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)/S1
STK554854
Synonyms: N-(4-acetylphenyl)-2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl
STK554855
Synonyms: 2-[(4-bromobenzyl)sulfanyl]-3-ethyl-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCc2ccc(cc2)Br)nc2c(c1=O)c1CCN(Cc1s2)C
STK554858
Synonyms: (6Z)-2-(benzylsulfanyl)-5-imino-6-[(1-{2-[4-(propan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cccn1CCOc1ccc(cc1)C(C)C)SCc1ccccc1
STK554859
Synonyms: 6-(biphenyl-4-yl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1
STK554862
Synonyms: (5Z)-5-(3-fluorobenzylidene)-2-[(3-hydroxyphenyl)amino]-1,3-thiazol-4(5H)-one
Smiles: Oc1cccc(c1)NC1=NC(=O)/C(=C/c2cccc(c2)F)/S1
STK554863
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-methylphenyl)ethylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Cc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)/C
STK554865
Synonyms: 3-(2-methoxyethoxy)-2-[(2-methoxyethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: COCCSc1nc2ccccc2c(=O)n1OCCOC
STK554866
Synonyms: 2-(4-chlorophenyl)-N'-[(E)-(4-fluorophenyl)methylidene]quinoline-4-carbohydrazide
Smiles: Fc1ccc(cc1)/C=N/NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)Cl
STK554867
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-cyclohexylideneacetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)NN=C1CCCCC1
STK554868
Synonyms: (6E)-5-imino-6-{[1-(4-methylbenzyl)-1H-indol-3-yl]methylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK554869
Synonyms: 4-[1-(3,4-dimethylbenzyl)-1H-benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
Smiles: COc1ccccc1N1CC(CC1=O)c1nc2c(n1Cc1ccc(c(c1)C)C)cccc2
STK554870
Synonyms: N'-[(E)-(4-bromophenyl)methylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(cc1)Br
STK554871
Synonyms: 6-(3-bromophenyl)-3-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1cccc(c1)Br
STK554872
Synonyms: N-{[2-(benzyloxy)phenyl](cyano)methyl}-3-chloro-N-(2-methoxyphenyl)propanamide
Smiles: ClCCC(=O)N(c1ccccc1OC)C(c1ccccc1OCc1ccccc1)C#N
STK554873
Synonyms: 4-(diphenylphosphoryl)-6-phenyl-4,5-dihydropyridazin-3(2H)-one
Smiles: O=C1NN=C(CC1P(=O)(c1ccccc1)c1ccccc1)c1ccccc1
STK554876
Synonyms: 3-(2-chlorophenyl)-6-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1sc2n(n1)c(nn2)c1ccccc1Cl
STK554877
Synonyms: 4-(3-chlorophenyl)-7,7-dimethyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1cccc(c1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2SCC(=O)c1ccccc1
STK554878
Synonyms: ethyl3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-methoxy-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccc3c(c1)OCO3)cc(cc2)OC
STK554879
Synonyms: ethyl(1'R,2'R)-2'-(4-methoxyphenyl)-1,3-dioxo-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: CCOC(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(cc1)OC)C(=O)c1c(C2=O)cccc1
STK554880
Synonyms: 2-(4-methoxyphenyl)-3-[4-(4-methylphenoxy)butyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1ccc(cc1)C
STK554881
Synonyms: 9-chloro-2-(5-methylfuran-2-yl)-5-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccccc1)c1ccc(o1)C
STK554882
Synonyms: 2-[(3-butyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK554883
Synonyms: N-(4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N
STK554884
Synonyms: 6-(biphenyl-4-yl)-3-(3-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1
STK554885
Synonyms: ethyl1-{3-[(2-methyl-8,13-dioxo-13,14-dihydro-8H-naphtho[2,3-a]phenoxazin-7-yl)amino]propyl}piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C
STK554886
Synonyms: 9-chloro-2-(5-methylfuran-2-yl)-5-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)C)c1ccc(o1)C
STK554887
Synonyms: (6Z)-6-(4-{3-[2-(butan-2-yl)phenoxy]propoxy}benzylidene)-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCC(c1ccccc1OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1)C
STK554888
Synonyms: N-(3-chlorophenyl)-2-[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3
STK554890
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(4-bromophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Br
STK554893
Synonyms: 3-(3-ethoxyphenyl)-6-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1OC
STK554895
Synonyms: 3-(4-methylphenyl)-6-(naphthalen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2
STK554896
Synonyms: ethyl(2E)-[2-(4-nitrophenyl)hydrazinylidene][(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanoate
Smiles: CCOC(=O)/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/Sc1nnnn1c1ccccc1
STK554897
Synonyms: N~4~-(2,5-dimethoxyphenyl)-N~2~-(2-methoxyethyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COCCNc1nc(N)c(c(n1)Nc1cc(OC)ccc1OC)[N+](=O)[O-]
STK554899
Synonyms: N-(3-chlorophenyl)-2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3
STK554901
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(3,4,5-trimethoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1cc(cc(c1OC)OC)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl
STK554902
Synonyms: methyl2-(5-{(Z)-[3-(benzylsulfanyl)-5-imino-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate
Smiles: COC(=O)c1ccccc1c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
STK554903
Synonyms: 3-[(2-chlorobenzyl)oxy]-2-[(2-chlorobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Clc1ccccc1COn1c(SCc2ccccc2Cl)nc2c(c1=O)cccc2
STK554904
Synonyms: ethyl(2Z)-3-(3-chloro-1H-indol-2-yl)-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C\c1[nH]c2c(c1Cl)cccc2)/C#N
STK554905
Synonyms: N'-[(E)-{2-[(4-bromobenzyl)oxy]phenyl}methylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccccc1OCc1ccc(cc1)Br
STK554907
Synonyms: 2-(4-methoxybenzyl)-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C(C)C
STK554908
Synonyms: 9-bromo-5-(3-chlorophenyl)-2-(5-methylfuran-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)Cl)c1ccc(o1)C
STK554911
Synonyms: 2-{[3-(4-chlorophenyl)-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCN(C3)C
STK554912
Synonyms: (6Z)-6-{3-bromo-4-[(4-fluorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Fc1ccc(cc1)COc1ccc(cc1Br)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK554914
Synonyms: (2''R,3''R)-3''-acetyl-2''-(4-nitrophenyl)-2'',3''-dihydro-10b''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',1''-pyrrolo[2,1-a]phthalazine]-4',6'-dione
Smiles: CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)OC1(OC2=O)CCCCC1)cccc3
STK554915
Synonyms: 3-ethyl-7-methyl-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c1CCN(Cc1s2)C
STK554917
Synonyms: N,N-diethyl-4-[3-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccco1)CC
STK554918
Synonyms: (6E)-2-(3,4-dimethoxybenzyl)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OC)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccccc3)C)/C2=N)s1
STK554919
Synonyms: (2Z)-N-(2-chlorophenyl)-2-cyano-2-[5-(2,5-dichlorobenzyl)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccc(c(c1)C)C)Cc1cc(Cl)ccc1Cl)/C(=O)Nc1ccccc1Cl
STK554920
Synonyms: 2-methyl-7-{[3-(pyrrolidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCCC1
STK554922
Synonyms: 2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-4-bromophenylbenzoate
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1c1ccccc1)c1nonc1N)OC(=O)c1ccccc1
STK554923
Synonyms: (6Z)-6-{[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(c(c3)Cl)C)/C2=N)s1
STK554924
Synonyms: N~4~-(4-chlorophenyl)-N~2~-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1cccc(c1)Nc1nc(N)c(c(n1)Nc1ccc(cc1)Cl)[N+](=O)[O-]
STK554925
Synonyms: 1,3-dimethyl-7-(4-methylbenzyl)-8-[(2E)-2-(4-methylbenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C
STK554928
Synonyms: N-(4-acetylphenyl)-2-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2
STK554929
Synonyms: N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: CSc1ccc(cc1)/C=N/NC(=O)CSc1nncn1C
STK554930
Synonyms: 12-benzyl-9-(benzylsulfanyl)-6,6-dimethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: O=c1n2c(SCc3ccccc3)nnc2n(c2c1C(C)(C)Cc1c2cccc1)Cc1ccccc1
STK554931
Synonyms: 6-(biphenyl-4-yl)-3-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1
STK554932
Synonyms: 2-(4-methoxyphenyl)-3-[6-(2-methylphenoxy)hexyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccccc1C
STK554935
Synonyms: 1-(2-methoxyethyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: COCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1
STK554937
Synonyms: (6E)-6-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3ccccc3F)/C2=N)s1
STK554938
Synonyms: methyl6-methoxy-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1nonc1C)ccc(c2)OC
STK554939
Synonyms: 11-(ethylsulfanyl)-1-(propylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclopentane]
Smiles: CCCSc1nnc2n1c(SCC)nc1c2C2(CCCC2)Cc2c1cccc2
STK554940
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(2-chlorophenyl)carbonyl]-1'-(2,2-dimethylpropanoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Clc1ccccc1C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C
STK554942
Synonyms: 4-hydrazinyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-amine
Smiles: NNc1nc(N)nc2c1c1CCCCc1s2
STK554943
Synonyms: N'-[(1E)-1-(4-bromophenyl)ethylidene]-2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C(/c1ccc(cc1)Br)\C
STK554944
Synonyms: 3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-(piperidin-1-yl)propan-1-one
Smiles: Cc1ccc(c(c1)C(c1ccccc1)CC(=O)N1CCCCC1)O
STK554945
Synonyms: 2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(1-phenylpropan-2-yl)acetamide
Smiles: CCCSc1nc(SCC(=O)NC(Cc2ccccc2)C)c2c(n1)sc1c2CC(OC1)(C)CC
STK554946
Synonyms: 5-ethyl-2-[(3-hydroxypropyl)amino]-3,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
Smiles: OCCCNc1nc2c3ccccc3CC(c2c(=O)n1C)(C)CC
STK554947
Synonyms: N-(4-acetylphenyl)-2-[(5-amino-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc2n1c(N)nc1c2c2CC(C)(C)OCc2s1
STK554948
Synonyms: 3-(prop-2-en-1-yloxy)-2-(prop-2-en-1-ylsulfanyl)quinazolin-4(3H)-one
Smiles: C=CCSc1nc2ccccc2c(=O)n1OCC=C
STK554949
Synonyms: (6aR,6bS,9aR,10S)-10-(furan-2-ylcarbonyl)-8-(4-methylphenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1
STK554950
Synonyms: 2-[3-(4-chlorophenyl)-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl]-N-(2-phenylethyl)acetamide
Smiles: O=C(Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CC(OC3)(C)C)NCCc1ccccc1
STK554951
Synonyms: 4-{(2E)-2-[4-(2-amino-2-oxoethoxy)-3-methoxybenzylidene]hydrazinyl}-N-(4-bromophenyl)-4-oxobutanamide
Smiles: COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(cc2)Br)ccc1OCC(=O)N
STK554952
Synonyms: 2-[4-(2-methylpropoxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CC(COc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2)C
STK554953
Synonyms: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cc(cc2)I
STK554954
Synonyms: 12-pentyl-9-(pentylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: CCCCCSc1nnc2n1c(=O)c1c(n2CCCCC)c2ccccc2CC21CCCCC2
STK554955
Synonyms: 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(butan-2-yl)phenyl]acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1)C
STK554956
Synonyms: 5-(4-fluorophenyl)-3-(2-methylpropyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)CC(C)C
STK554959
Synonyms: 1-(8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-2-[4-(pyridin-2-yl)piperazin-1-yl]ethanone
Smiles: Cc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCN(CC1)c1ccccn1
STK554960
Synonyms: 4-{1,1,1,3,3,3-hexafluoro-2-[(2-phenylethyl)amino]propan-2-yl}-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: Cc1[nH]n(c(=O)c1C(C(F)(F)F)(C(F)(F)F)NCCc1ccccc1)c1ccccc1
STK554961
Synonyms: 2,2-dimethyl-5-(morpholin-4-yl)-8-[(4-nitrobenzyl)sulfanyl]-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
STK554962
Synonyms: N'-[(E)-(2,4-dichlorophenyl)methylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(cc1Cl)Cl
STK554963
Synonyms: 2-[4-(tert-butylamino)quinazolin-2-yl]-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(NC(C)(C)C)c2c(n1)cccc2
STK554964
Synonyms: (6E)-6-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)Cl)C)C)/C2=N)s1
STK554967
Synonyms: 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1cccc(c1)Oc1ccccc1
STK554968
Synonyms: 2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK554970
Synonyms: (5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-(2-ethoxybenzylidene)-1,3-thiazol-4(5H)-one
Smiles: CCOc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)c1ccc(c(c1)Cl)C
STK554971
Synonyms: (4aR,4bS,7aR,8S)-6-(2,4-dichlorophenyl)-8-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl
STK554972
Synonyms: 5-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccccc1
STK554975
Synonyms: ethyl5,6-dimethoxy-3-({[1-(4-methylphenyl)cyclopropyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)cc(c(c2)OC)OC
STK554977
Synonyms: 3-benzyl-2-[(2-chlorobenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Clc1ccccc1CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3
STK554980
Synonyms: (6Z)-6-{3-ethoxy-4-[2-(3-methylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCCOc1cccc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK554981
Synonyms: 1-[(2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino]propan-2-ol
Smiles: CC(CNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C)O
STK554982
Synonyms: 2-phenyl-5-(4-propoxyphenyl)-3-(pyridin-3-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccnc1
STK554983
Synonyms: 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: Cc1cc(n(n1)c1nc(nc2c1c1CC(C)(C)OCc1s2)n1nc(cc1C)C)C
STK554984
Synonyms: (6Z)-6-{3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCCOc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK554985
Synonyms: 2-[(6-bromo-2-methylquinolin-4-yl)sulfanyl]acetohydrazide
Smiles: Cc1cc(SCC(=O)NN)c2c(n1)ccc(c2)Br
STK554986
Synonyms: N'-[(E)-{4-[(3,4-dichlorobenzyl)oxy]-3-methoxyphenyl}methylidene]-2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2ccc(n2)C)ccc1OCc1ccc(c(c1)Cl)Cl
STK554988
Synonyms: 2-[(2-hydroxy-2-phenylethyl)amino]-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O
STK554989
Synonyms: (2E)-N-[5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-phenyl-1H-1,2,4-triazol-3-yl]-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1nc(n(n1)c1ccccc1)N1C(=O)c2c(C1=O)cccc2)/C=C/c1cccc(c1)[N+](=O)[O-]
STK554990
Synonyms: 2,8,8-trimethyl-4-(nonylsulfanyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCCCCCCCSc1nc(C)nc2c1sc1c2cc2c(n1)CC(OC2)(C)C
STK554991
Synonyms: 2-[3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCCC3
STK554992
Synonyms: 2-(diethylamino)ethyl(2E)-3-(3,4-dimethoxyphenyl)-2-[(phenylcarbonyl)amino]prop-2-enoate
Smiles: CCN(CCOC(=O)/C(=C\c1ccc(c(c1)OC)OC)/NC(=O)c1ccccc1)CC
STK554993
Synonyms: 6-(4-bromophenyl)-3-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)Br
STK554994
Synonyms: 3-(2-chlorophenyl)-6-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1ccccc1Cl
STK554995
Synonyms: (2'S,3'R,4R)-3'-(2,2-dimethylpropanoyl)-2,2'-diphenyl-2',3'-dihydro-10b'H-spiro[1,3-oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one
Smiles: O=C(C(C)(C)C)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccccc1)N=C(OC2=O)c1ccccc1)cccc3
STK554997
Synonyms: 3-(4-tert-butylphenyl)-6-(2,6-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C)OC
STK554998
Synonyms: 6-(4-benzylpiperazin-1-yl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK554999
Synonyms: 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)/C1=O
STK555001
Synonyms: N'-[(E)-(3,5-dichloro-2-methoxyphenyl)methylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1c(/C=N/NC(=O)CSc2nncn2C)cc(cc1Cl)Cl
STK555002
Synonyms: N-(4-chlorophenyl)-2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3
STK555004
Synonyms: (6E)-6-{[1-(4-chlorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555005
Synonyms: 3-[(2,6-dichlorobenzyl)oxy]-2-[(2,6-dichlorobenzyl)sulfanyl]quinazolin-4(3H)-one
Smiles: Clc1cccc(c1COn1c(SCc2c(Cl)cccc2Cl)nc2c(c1=O)cccc2)Cl
STK555006
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK555007
Synonyms: 4-[3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2c1ccccn1
STK555008
Synonyms: 2-(benzylsulfanyl)-4-[(4-chlorobenzyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: Clc1ccc(cc1)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2
STK555009
Synonyms: 3-chloro-N-[cyano(4-methoxyphenyl)methyl]-N-(2-methylphenyl)propanamide
Smiles: ClCCC(=O)N(c1ccccc1C)C(c1ccc(cc1)OC)C#N
STK555014
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(2-methoxy-5-nitrophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1)[N+](=O)[O-]
STK555015
Synonyms: 9-(2,4-dimethoxyphenyl)-2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
Smiles: COc1cc(OC)ccc1n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
STK555016
Synonyms: 6-iodo-3-(naphthalen-1-yl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(o1)[N+](=O)[O-])c1cccc2c1cccc2
STK555017
Synonyms: 3-(3-chlorophenyl)-2-(propan-2-ylsulfanyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: CC(Sc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl)C
STK555018
Synonyms: 2-(4-butoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CCCCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2
STK555019
Synonyms: 2-(2-{[4-amino-5-nitro-6-(piperidin-1-yl)pyrimidin-2-yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]
STK555020
Synonyms: 8,8-dimethyl-3-(3-methylbutyl)-7,10-dihydro-8H-thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CC(CCn1cnc2c(c1=O)sc1c2cc2c(n1)CC(SC2)(C)C)C
STK555021
Synonyms: 4-[(2,6-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2c(Cl)cccc2Cl)c2c(n1)sc1c2CC(OC1)(C)CC
STK555022
Synonyms: (2Z)-2-cyano-N-(3-methylphenyl)-2-[(5Z)-3-(2-methylphenyl)-4-oxo-5-(2,4,5-trimethoxybenzylidene)-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=c\1/s/c(=C\c2cc(OC)c(cc2OC)OC)/c(=O)n1c1ccccc1C)/C(=O)Nc1cccc(c1)C
STK555023
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(6-methylpyridin-2-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccc(n1)C
STK555024
Synonyms: 4-(4-chlorophenyl)-7-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC1CCc2c(C1)c1c(=O)n(c3ccc(cc3)Cl)c3n(c1s2)cnn3
STK555025
Synonyms: 4-(4-chlorophenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1ccc(cc1)n1c2nncn2c2c(c1=O)c1CCCCc1s2
STK555026
Synonyms: 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E)-1-(pyridin-4-yl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C(/c1ccncc1)\C
STK555027
Synonyms: 2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3
STK555028
Synonyms: 5-(benzylsulfanyl)-3-[(4-bromobenzyl)sulfanyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Brc1ccc(cc1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1
STK555029
Synonyms: (6Z)-6-{3-bromo-4-[(2-methylbenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Br)OCc1ccccc1C)c1cccnc1
STK555031
Synonyms: 3-(3-chlorophenyl)-2-[(4-nitrobenzyl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Clc1cccc(c1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cc1c(n2)CCCC1
STK555032
Synonyms: 3-(2-phenylethyl)-11-{[(E)-phenylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2/N=C/c1ccccc1
STK555033
Synonyms: (5Z)-5-{[5-(4-methylphenyl)furan-2-yl]methylidene}-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: Cc1ccc(cc1)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-]
STK555034
Synonyms: 2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N,N-diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1
STK555035
Synonyms: 5-(3-chloro-2-methylphenyl)-3-(2-methylpropyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1)C
STK555037
Synonyms: methyl3-{[3-(4-benzylpiperazin-1-yl)propanoyl]amino}-6-methoxy-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)Cc1ccccc1)ccc(c2)OC
STK555038
Synonyms: 3-(3-chlorophenyl)-6,6-dimethyl-2-sulfanyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1cccc(c1)n1c(S)nc2c(c1=O)c1CC(C)(C)OCc1s2
STK555041
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3
STK555043
Synonyms: (6E)-6-{[1-(4-chlorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1
STK555044
Synonyms: [6-bromo-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hex-1-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Smiles: O=C(C12CCC(C1Br)(C2(C)C)C(Br)Br)N1CCc2c(C1)cccc2
STK555045
Synonyms: (6Z)-6-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccccc1F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555046
Synonyms: 3-(3-ethoxyphenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccccc1
STK555047
Synonyms: (3aR,6aS)-3-(3-nitrophenyl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1C(=NO2)c1cccc(c1)[N+](=O)[O-]
STK555050
Synonyms: (8S,8aR,11aS,11bS)-10-(4-methylphenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2
STK555051
Synonyms: 2-(4-methylpiperazin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
Smiles: CC1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)C
STK555052
Synonyms: 7-methoxy-3-({(E)-[3-(octyloxy)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCCCCCCCOc1cccc(c1)/C=N/n1cnc2c(c1=O)[nH]c1c2ccc(c1)OC
STK555055
Synonyms: methyl5-bromo-3-{[hydroxy(diphenyl)acetyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)(c1ccccc1)O)cc(cc2)Br
STK555058
Synonyms: (5Z)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(C)C)c1ccccc1
STK555059
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(F)cccc1Cl)C
STK555061
Synonyms: N-(3-chlorophenyl)-2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3
STK555062
Synonyms: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1C)C)I
STK555063
Synonyms: 2-{[(E)-(3-phenyl-1H-pyrazol-4-yl)methylidene]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2c[nH]nc2c2ccccc2)sc2c1CCCCC2
STK555064
Synonyms: N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
Smiles: O=C1NC(C(=O)N1CCc1ccccc1)(NC(=O)C(C)(C)C)C(F)(F)F
STK555065
Synonyms: N~2~-benzyl-N~4~-cyclohexyl-5-nitropyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)NCc1ccccc1
STK555066
Synonyms: 2-(3-ethoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: CCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2
STK555068
Synonyms: 12-(4-chlorobenzyl)-9-[(4-chlorobenzyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: Clc1ccc(cc1)CSc1nnc2n1c(=O)c1c(n2Cc2ccc(cc2)Cl)c2ccccc2CC21CCCCC2
STK555070
Synonyms: 3-methoxy-10-methyl-5-[(4-methylphenyl)sulfonyl]-5,10-dihydroindolo[3,2-b]indole
Smiles: COc1ccc2c(c1)c1c(n2C)c2c(n1S(=O)(=O)c1ccc(cc1)C)cccc2
STK555071
Synonyms: 3-[(2-chlorobenzyl)sulfanyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Smiles: Clc1ccccc1CSc1nnc2n1c(N)nc1c2c2CCCCc2s1
STK555072
Synonyms: (6E)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccccc1)C)c1cccnc1
STK555073
Synonyms: 3-[4-(2-tert-butyl-6-methylphenoxy)butyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1c(C)cccc1C(C)(C)C
STK555074
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-6-iodoquinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(cc1)N(C)C)c1ccc(cc1Cl)[N+](=O)[O-]
STK555075
Synonyms: 5-(naphthalen-2-yl)-3-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)C2C1C(c1ccc(cc1)[N+](=O)[O-])N(O2)c1ccccc1
STK555076
Synonyms: 3-methyl-7-{[3-(3-methylpiperidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: CC1CCCN(C1)CCCNc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1
STK555077
Synonyms: N-(2,4-dimethoxyphenyl)-2-[(5-oxo-4-phenyl-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3
STK555078
Synonyms: 2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl
STK555081
Synonyms: ethyl{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3
STK555082
Synonyms: 2,3-dimethoxy-6-[5-(4-nitrophenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
STK555083
Synonyms: (6Z)-6-[4-(benzyloxy)-3-ethoxybenzylidene]-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555084
Synonyms: 3-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1Cl)Cl
STK555085
Synonyms: N~2~-(2,5-dimethoxyphenyl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)Nc1cc(OC)ccc1OC
STK555086
Synonyms: (6Z)-6-[4-(benzyloxy)-3-methoxybenzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555087
Synonyms: 2-[(6-bromo-2-methylquinolin-4-yl)sulfanyl]-N'-[(3Z)-5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
Smiles: O=C(CSc1cc(C)nc2c1cc(Br)cc2)N/N=C/1\C(=O)Nc2c1cc(cc2)[N+](=O)[O-]
STK555088
Synonyms: 2-{[2-(benzylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
Smiles: OCC(Nc1nc(SCc2ccccc2)nc2c1c1CCCCc1s2)C
STK555089
Synonyms: (4aR,4bS,7aR,8S)-6-(4-fluorophenyl)-8-[(4-fluorophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)F
STK555090
Synonyms: 3-(3-ethoxyphenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)OC
STK555091
Synonyms: 3-(furan-2-ylmethyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)Cc1ccco1
STK555094
Synonyms: 8-(3-chlorophenyl)-1,3-dimethyl-7-(4-nitrophenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1)[N+](=O)[O-]
STK555095
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1)CC
STK555097
Synonyms: 9-bromo-5-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(o1)C)Br
STK555098
Synonyms: 5-(2-ethylhexyl)-1-phenyl-1,3,5-triazinane-2-thione
Smiles: CCCCC(CN1CNC(=S)N(C1)c1ccccc1)CC
STK555099
Synonyms: 3-(2,4-dimethylphenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6-iodoquinazolin-4(3H)-one
Smiles: COc1cc(ccc1O)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1C)C)I
STK555100
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccnc1
STK555101
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccc(c(c1)Cl)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK555102
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)N(C)C
STK555103
Synonyms: 3-(3-chlorophenyl)-5-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
STK555104
Synonyms: 3-(3-ethoxyphenyl)-6-(furan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccco1
STK555105
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555106
Synonyms: 2-amino-N-butyl-1-dodecyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCCCCCCCCCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCCC
STK555110
Synonyms: ethyl4-({[6-bromo-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hex-1-yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C12CCC(C1Br)(C2(C)C)C(Br)Br
STK555111
Synonyms: (5Z)-5-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCCC1
STK555116
Synonyms: 1,3-dimethyl-7-(4-methylbenzyl)-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2cccnc2)nc2c1c(=O)n(c(=O)n2C)C
STK555117
Synonyms: N,N-dimethyl-4-[3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)N(C)C
STK555118
Synonyms: 9-bromo-2-(5-methylfuran-2-yl)-5-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccccc1)c1ccc(o1)C
STK555120
Synonyms: (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(2-methyl-4-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-]
STK555121
Synonyms: N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1
STK555123
Synonyms: 3-ethyl-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c1CCCCc1s2
STK555126
Synonyms: (6aR,6bS,9aR,10S)-10-(furan-2-ylcarbonyl)-8-(2-methyl-5-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(c2cc(ccc2C)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccco1)cccc3
STK555127
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(2-chlorophenyl)carbonyl]-1'-[(3-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)c1cccc(c1)[N+](=O)[O-]
STK555128
Synonyms: 6-(4-bromophenyl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)Br
STK555129
Synonyms: (5Z)-5-(2-chlorobenzylidene)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1ccc(c(c1)Cl)C
STK555130
Synonyms: (3aR,6aS)-5-(2-methyl-4-nitrophenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]
STK555131
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3
STK555132
Synonyms: 3-(2,4-dimethylphenyl)-2-{(E)-2-[4-(propan-2-yl)phenyl]ethenyl}quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(cc2)C(C)C)nc2c(c1=O)cccc2
STK555133
Synonyms: 2-(benzylsulfanyl)-3-(3-chlorophenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Clc1cccc(c1)n1c(SCc2ccccc2)nc2c(c1=O)cc1c(n2)CCCC1
STK555135
Synonyms: 6-fluoro-2-methylquinoline-3-carboxylicacid
Smiles: Fc1ccc2c(c1)cc(c(n2)C)C(=O)O
STK555136
Synonyms: 3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(3,4-dihydroisoquinolin-2(1H)-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C1=O)C
STK555138
Synonyms: 4-{5-(4-chlorophenyl)-2-oxo-3-[(4-sulfamoylphenyl)amino]-2,5-dihydro-1H-pyrrol-1-yl}benzenesulfonamide
Smiles: Clc1ccc(cc1)C1C=C(C(=O)N1c1ccc(cc1)S(=O)(=O)N)Nc1ccc(cc1)S(=O)(=O)N
STK555139
Synonyms: N-(4-ethoxyphenyl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCC1
STK555140
Synonyms: 5-(3-methoxyphenyl)-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: COc1cccc(c1)C1=CC(n2c(N1)nnn2)c1cccc(c1)[N+](=O)[O-]
STK555141
Synonyms: N'-[(E)-(3-bromophenyl)methylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccc(c1)Br
STK555142
Synonyms: 2-(pyridin-3-yl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: C1CCC2(CC1)Cc1ccccc1c1c2c2nc(nn2cn1)c1cccnc1
STK555143
Synonyms: 3-(3-chlorophenyl)-2-sulfanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Clc1cccc(c1)n1c(S)nc2c(c1=O)cc1c(n2)CCCC1
STK555144
Synonyms: 6-(4-ethylpiperazin-1-yl)-5-nitro-2-(piperidin-1-yl)pyrimidin-4-amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1
STK555145
Synonyms: 9-bromo-2-(5-methylfuran-2-yl)-5-(pyridin-4-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccncc1)c1ccc(o1)C
STK555146
Synonyms: (8S,8aR,11aS,11bS)-10-(2-methyl-4-nitrophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1C)[N+](=O)[O-])c1ccccc1
STK555147
Synonyms: 2-{[3-(2-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: COc1ccccc1n1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK555148
Synonyms: (6Z)-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-6-[4-(3-phenoxypropoxy)benzylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCCOc3ccccc3)/C2=N)s1
STK555149
Synonyms: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(o2)[N+](=O)[O-])nc2c(c1=O)cc(cc2)I
STK555151
Synonyms: methyl4-[7,9-dichloro-2-(furan-2-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1Oc2c(Cl)cc(cc2C2N1N=C(C2)c1ccco1)Cl
STK555152
Synonyms: 2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-N-[2-(morpholin-4-yl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: COc1ccc(cc1)CCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCCN1CCOCC1
STK555153
Synonyms: (5E)-2-(4-benzylpiperazin-1-yl)-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C/c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1
STK555155
Synonyms: N~2~-(3-chlorophenyl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1ccc(cc1)Nc1nc(Nc2cccc(c2)Cl)nc(c1[N+](=O)[O-])N
STK555157
Synonyms: 2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)Nc1nccs1)SC
STK555158
Synonyms: 2-[(E)-{2-[4-(2-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenylbenzenesulfonate
Smiles: O=C1N=C(S/C/1=C/c1ccccc1OS(=O)(=O)c1ccccc1)N1CCN(CC1)c1ccccc1C
STK555159
Synonyms: (6Z)-5-imino-6-{4-[(3-methylbenzyl)oxy]benzylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555160
Synonyms: 3-ethyl-8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cc1c(n2)CC(OC1)(C)C
STK555161
Synonyms: 1-(morpholin-4-yl)-3-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)[N+](=O)[O-])nc(c2c1CCCC2)N1CCOCC1
STK555162
Synonyms: 3-amino-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)N
STK555163
Synonyms: 6-ethyl-6-methyl-9-sulfanyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c([nH]2)nnc1S
STK555164
Synonyms: 2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diphenylacetamide
Smiles: CCCSc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)CC
STK555165
Synonyms: 8,10-dibromo-2,3-dihydro-5H,6H-chromeno[2,3-d][1,3]thiazolo[3,2-a]pyrimidine-5,6-dione
Smiles: Brc1cc(Br)c2c(c1)c(=O)c1c(o2)nc2n(c1=O)CCS2
STK555166
Synonyms: N-(2-chlorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK555167
Synonyms: 4-(2-bromo-4-methylphenoxy)-2-(pyridin-2-yl)quinazoline
Smiles: Cc1ccc(c(c1)Br)Oc1nc(nc2c1cccc2)c1ccccn1
STK555168
Synonyms: 3-(2,4-dimethylphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cccc(c2)C)nc2c(c1=O)cccc2
STK555170
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2S)-1-hydrazinyl-4-(methylsulfanyl)-1-oxobutan-2-yl]urea(non-preferredname)
Smiles: CSCC[C@@H](C(=O)NN)NC(=O)Nc1ccc2c(c1)OCCO2
STK555171
Synonyms: 6-cyclohexyl-3-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1ccc(c(c1)Cl)c1nnc2n1nc(s2)C1CCCCC1
STK555172
Synonyms: N-(3-chlorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
STK555173
Synonyms: (6Z)-6-{3-ethoxy-4-[(2-methylbenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555174
Synonyms: (5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-diyl)dimethanediylbis(4-methylbenzenesulfonate)
Smiles: COC1(C)OC(COS(=O)(=O)c2ccc(cc2)C)C(OC1(C)OC)COS(=O)(=O)c1ccc(cc1)C
STK555175
Synonyms: N-(2,4-dimethoxyphenyl)-2-oxo-2H-pyran-5-carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1ccc(=O)oc1
STK555176
Synonyms: 2-[(4-methylphenoxy)methyl]-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Cc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C(C)C
STK555177
Synonyms: 5-(3-methylphenyl)-3-(2-methylpropyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C)c1ccccc1)C
STK555178
Synonyms: 4-{[(8R,8aR,11aS,11bS)-10-(4-methylphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C)cccc3
STK555180
Synonyms: (6Z)-6-{4-[(3,4-dichlorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCc1ccc(c(c1)Cl)Cl)c1cccnc1
STK555181
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccc(cc2)Br)cc(c1OC)OC
STK555183
Synonyms: 2,2-dimethyl-5-(2-methylpropyl)-8-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C
STK555184
Synonyms: methyl5-bromo-3-({[1-(4-methylphenyl)cyclopropyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)cc(cc2)Br
STK555185
Synonyms: (6Z)-6-{4-[3-(2,5-dimethylphenoxy)propoxy]benzylidene}-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(c(c1)OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1)C
STK555187
Synonyms: N~4~-(4-ethoxyphenyl)-N~2~-methyl-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C
STK555188
Synonyms: 6-(4-bromophenyl)-4-(diphenylphosphoryl)-4,5-dihydropyridazin-3(2H)-one
Smiles: O=C1NN=C(CC1P(=O)(c1ccccc1)c1ccccc1)c1ccc(cc1)Br
STK555189
Synonyms: 3-(2-methoxyphenyl)-N-(3-methyl-3-phenylpentyl)-3-[4-(propan-2-yloxy)phenyl]propanamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)NCCC(c1ccccc1)(CC)C
STK555190
Synonyms: (4aR,4bS,7aR,8S)-6-(2-chlorophenyl)-8-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl
STK555191
Synonyms: 4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]phenylbenzenesulfonate
Smiles: ClC1=C(Nc2ccc(cc2)OS(=O)(=O)c2ccccc2)C(=O)c2c(C1=O)cccc2
STK555192
Synonyms: 2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3
STK555193
Synonyms: methyl3-({[2-(2-hydroxyethyl)piperidin-1-yl]acetyl}amino)-6-methoxy-1H-indole-2-carboxylate
Smiles: OCCC1CCCCN1CC(=O)Nc1c([nH]c2c1ccc(c2)OC)C(=O)OC
STK555194
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-phenylethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C(/c1ccccc1)\C
STK555195
Synonyms: N'-[(E)-1H-indol-3-ylmethylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1c[nH]c2c1cccc2
STK555196
Synonyms: 3-(3-chlorophenyl)-5-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)Cl
STK555198
Synonyms: 6-ethyl-6-methyl-2-(methylsulfanyl)-4-[(4-nitrobenzyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(SCc3ccc(cc3)[N+](=O)[O-])nc(nc1s2)SC
STK555202
Synonyms: 3-imino-5-(3-methoxyphenyl)-1,7-dimethyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Smiles: N#CC12C(=N)OC(OC1c1cccc(c1)OC)(C(C2(C#N)C#N)C)C
STK555203
Synonyms: ethyl(1'S,2'S)-2'-(2,4-dimethoxyphenyl)-1,3-dioxo-1,1',2',3-tetrahydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1'-carboxylate
Smiles: CCOC(=O)[C@H]1N2c3ccccc3C=CC2[C@@]2([C@@H]1c1ccc(cc1OC)OC)C(=O)c1c(C2=O)cccc1
STK555205
Synonyms: 5-(3,4-dichlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(ccc1O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(c(c1)Cl)Cl
STK555206
Synonyms: (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1NC(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2C=CC=N1)C(=O)c1ccc(cc1)F
STK555207
Synonyms: N-(4-methylphenyl)-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}propanamide
Smiles: O=C(C(Sc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)C)Nc1ccc(cc1)C
STK555208
Synonyms: 6-(4-ethylpiperazin-1-yl)-N~2~-methyl-5-nitropyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(NC)nc(c1[N+](=O)[O-])N
STK555212
Synonyms: (4-bromophenyl)[(4-methoxyphenyl)amino]acetonitrile
Smiles: N#CC(c1ccc(cc1)Br)Nc1ccc(cc1)OC
STK555213
Synonyms: 2-{[3-(3-methoxyphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK555215
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2,4-difluorophenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nc2c(c1=O)c1CCCCc1s2
STK555216
Synonyms: N-(3-chlorophenyl)-2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1cccc(c1)Cl)nn2)CC(OC3)(C)CC
STK555218
Synonyms: (8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(naphthalen-2-yl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C(C)(C)C
STK555219
Synonyms: 3-[3-(1H-imidazol-1-yl)propyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCCn1cncc1
STK555220
Synonyms: 2-(3-butoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Smiles: CCCCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2
STK555221
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-[(E)-2-(4-ethylphenyl)ethenyl]-6-iodoquinazolin-4(3H)-one
Smiles: CCc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-])I
STK555222
Synonyms: N~2~-methyl-5-nitro-N~2~-phenyl-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)N(c1ccccc1)C
STK555223
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[3-(4-methoxyphenoxy)propoxy]benzylidene}-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCCOc1ccc(cc1)OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1
STK555224
Synonyms: (6aS,6bR,9aS,10R)-3-chloro-8-(4-chlorophenyl)-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=C(C)c2c1ccc(c2)Cl)C(=O)c1ccccc1
STK555225
Synonyms: N-(3-methoxypropyl)-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C
STK555227
Synonyms: 1-phenyl-1H-tetrazol-5-yl(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonothioate
Smiles: O=C(/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/Sc1nnnn1c1ccccc1)c1ccccc1
STK555228
Synonyms: 3-butyl-2-[(2-chlorobenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: CCCCn1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK555230
Synonyms: N~2~-(3-aminopropyl)-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: NCCCNc1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-]
STK555231
Synonyms: 4-{[3,3-dicyano-2-(furan-2-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]carbonyl}phenylacetate(non-preferredname)
Smiles: N#CC1(C#N)C(c2ccco2)C(N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C
STK555232
Synonyms: 4-{[(8R,8aR,11aS,11bS)-10-(2,4-dichlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)cccc3
STK555233
Synonyms: 6-(4-bromophenyl)-3-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)Br
STK555236
Synonyms: N-(3-chlorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3
STK555237
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]-6-iodoquinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1O)c1ccc(cc1Cl)[N+](=O)[O-]
STK555238
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-7'-methoxy-2'-[(4-propylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: CCCc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)OC)C(=O)C(C)(C)C
STK555239
Synonyms: 3,3'-(hydroxyimino)bis[1-(2-fluorophenyl)pyrrolidine-2,5-dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccccc1F)C1CC(=O)N(C1=O)c1ccccc1F
STK555240
Synonyms: (2Z)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1cc2ccccc2oc1=O
STK555241
Synonyms: ethyl{[3-(4-ethoxyphenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OCC)CC(OC3)(C)C
STK555243
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)F
STK555244
Synonyms: 3-(4-chlorophenyl)-6-(2,5-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccc(cc1)Cl)OC
STK555246
Synonyms: methyl3-{[(2,6-difluorophenyl)carbonyl]amino}-6-methoxy-1H-indole-2-carboxylate
Smiles: COc1ccc2c(c1)[nH]c(c2NC(=O)c1c(F)cccc1F)C(=O)OC
STK555247
Synonyms: 6-(2,5-dimethoxyphenyl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1cc(OC)ccc1OC
STK555248
Synonyms: N-(5-iodopyridin-2-yl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Smiles: Ic1ccc(nc1)NC(=O)C12CCC(C2(C)C)(C(=O)C1)C
STK555250
Synonyms: N,N'-[pyrimidine-2,4-diylbis(sulfanediylmethanediyl)]bis(4-chlorobenzamide)
Smiles: Clc1ccc(cc1)C(=O)NCSc1ccnc(n1)SCNC(=O)c1ccc(cc1)Cl
STK555251
Synonyms: 3-(4-chlorophenyl)-2-[(2,6-difluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Clc1ccc(cc1)n1c(SCc2c(F)cccc2F)nc2c(c1=O)c1CCCCc1s2
STK555252
Synonyms: N-(4-chlorophenyl)-2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)CC
STK555254
Synonyms: (6Z)-6-{4-[3-(2,3-dimethylphenoxy)propoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCCOc1cccc(c1C)C)c1cccnc1
STK555255
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-[(E)-2-phenylethenyl]quinazolin-4(3H)-one
Smiles: [O-][N+](=O)c1ccc(c(c1)Cl)n1c(/C=C/c2ccccc2)nc2c(c1=O)cccc2
STK555257
Synonyms: (6Z)-6-{4-[2-(3,4-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-(thiophen-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccc(c(c1)C)C)c1cccs1
STK555258
Synonyms: 3-(4-chloro-2-oxo-3-phenyl-2,3-dihydro-1,3-thiazol-5-yl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1sc(=O)n(c1Cl)c1ccccc1)c1ccccc1
STK555259
Synonyms: N-[2-(morpholin-4-yl)ethyl]-2-oxo-2H-pyran-5-carboxamide
Smiles: O=c1ccc(co1)C(=O)NCCN1CCOCC1
STK555260
Synonyms: (6E)-6-({1-[3-(2-chlorophenoxy)propyl]-1H-indol-3-yl}methylidene)-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1cn(c2c1cccc2)CCCOc1ccccc1Cl)c1cccnc1
STK555261
Synonyms: N-(2,4-dimethoxyphenyl)-2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1
STK555263
Synonyms: (3S,3a'S,6a'R)-5'-(3-chlorophenyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Clc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(NC2)C(=O)Nc2c1cccc2
STK555268
Synonyms: 2-[(5-amino-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c(N)nc1c2c2CC(C)(C)OCc2s1
STK555269
Synonyms: (6aS,6bR,9aS,10R)-N-(2,5-dimethoxyphenyl)-8-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)[N+](=O)[O-])C=Cc1c2cccc1)OC
STK555270
Synonyms: 5-(3,4-dichlorophenyl)-3-(2-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1
STK555271
Synonyms: 2-oxo-N-[(1-phenylcyclopentyl)methyl]-2-(piperidin-1-yl)acetamide
Smiles: O=C(C(=O)NCC1(CCCC1)c1ccccc1)N1CCCCC1
STK555273
Synonyms: (2'R,3'R)-3'-acetyl-2,2-dimethyl-2'-(4-nitrophenyl)-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione
Smiles: CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)OC(OC2=O)(C)C)cccc3
STK555274
Synonyms: 3-(2-methylpropyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3
STK555275
Synonyms: 7-methoxy-4-(pyrrolidin-1-yl)-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCCC1
STK555276
Synonyms: 1-[(2-chlorobenzyl)sulfanyl]-4-ethyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCn1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccccc1Cl
STK555277
Synonyms: N'-[2-ethyl-2-methyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]-N,N-dimethylpropane-1,3-diamine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCCCN(C)C
STK555278
Synonyms: ethyl{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)OCC)nn2)CC(OC3)(C)CC
STK555279
Synonyms: 2-(4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-ethoxyphenoxy)acetamide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2COc2ccc(cc2)F)c2nonc2N)ccc1OCC(=O)N
STK555280
Synonyms: 7-(4-fluorobenzyl)-1,3-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)Cn1c(N/N=C(/c2ccccc2)\C)nc2c1c(=O)n(c(=O)n2C)C
STK555281
Synonyms: N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)C
STK555282
Synonyms: 2-({6-amino-2-[(4-methylbenzyl)amino]-5-nitropyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1nc(NCc2ccc(cc2)C)nc(c1[N+](=O)[O-])N
STK555283
Synonyms: N-(4-ethoxyphenyl)-2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)OCC)c2c(n1)sc1c2CC(OC1)(C)CC
STK555284
Synonyms: 6,6-dimethyl-2-(naphthalen-1-yl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
Smiles: [O-][N+](=O)C12CN3CC(C2(C)C)(CN(C1)C3c1cccc2c1cccc2)[N+](=O)[O-]
STK555285
Synonyms: N-(2,4-dimethoxyphenyl)-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1
STK555286
Synonyms: 5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e]tetrazolo[1,5-c]pyrimidine
Smiles: c1ccc(cc1)CSc1nc2sc3c(c2c2n1nnn2)CCCC3
STK555287
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccccn1
STK555289
Synonyms: 3-(4-ethoxyphenyl)-7-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)c1CCN(Cc1s2)C
STK555290
Synonyms: 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CC1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(s1)C)Br
STK555293
Synonyms: N-(furan-2-ylmethyl)-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCSc1nc(NCc2ccco2)c2c(n1)sc1c2CC(OC1)(C)C
STK555295
Synonyms: 6-(4-ethoxyphenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1
STK555296
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(o1)C
STK555298
Synonyms: 2-(2-methoxy-4-{(E)-[2-({[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetamide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccccc2)c2cccc(c2)[N+](=O)[O-])ccc1OCC(=O)N
STK555301
Synonyms: N-benzyl-3-(4-methoxyphenyl)-4-methylpentanamide
Smiles: COc1ccc(cc1)C(C(C)C)CC(=O)NCc1ccccc1
STK555302
Synonyms: N-(1-ethyl-6-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
Smiles: CCn1nc(c2c1nc1ccc(cc1c2)C)NC(=O)C(C)C
STK555303
Synonyms: 4-(4-chlorophenyl)-1-[(2,6-dichlorobenzyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1c(Cl)cccc1Cl
STK555304
Synonyms: 9'-bromo-2'-(2-methoxyphenyl)-1-propyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccccc1OC)Br
STK555305
Synonyms: methyl6-methoxy-3-({[3-methyl-4-(3-methylphenyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(C(C1)C)c1cccc(c1)C)ccc(c2)OC
STK555306
Synonyms: (4-methoxyphenyl)[(4-methoxyphenyl)amino]acetonitrile
Smiles: COc1ccc(cc1)NC(c1ccc(cc1)OC)C#N
STK555307
Synonyms: 10-ethyl-10-methyl-3-[(4-nitrobenzyl)sulfanyl]-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)[N+](=O)[O-])nn2)CC(OC3)(C)CC
STK555308
Synonyms: N-(4-ethoxyphenyl)-2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc2n1c(SC)nc1c2c2CC(C)(CC)OCc2s1
STK555311
Synonyms: 3-benzyl-6-iodo-2-[(3-methylbutyl)sulfanyl]quinazolin-4(3H)-one
Smiles: CC(CCSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)I)C
STK555313
Synonyms: 2-{[10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)N)nn2)CC(OC3)(C)CC
STK555314
Synonyms: N'-[(E)-(2-chlorophenyl)methylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccccc1Cl
STK555315
Synonyms: 3-(2-chloro-4-nitrophenyl)-2-pentylquinazolin-4(3H)-one
Smiles: CCCCCc1nc2ccccc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-]
STK555317
Synonyms: (8S,8aR,11aS,11bS)-10-(4-methylphenyl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2
STK555318
Synonyms: 2-{[2-(benzylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2
STK555319
Synonyms: 2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: CC(Cn1c(SCC(=O)N)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C
STK555320
Synonyms: (2Z)-2-cyano-2-[3-(3,4-dimethylphenyl)-4-oxo-5-(2-propoxybenzyl)-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)ethanamide
Smiles: CCCOc1ccccc1CC1S/C(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/N(C1=O)c1ccc(c(c1)C)C
STK555322
Synonyms: [2-(benzyloxy)phenyl][(2-methoxyphenyl)amino]acetonitrile
Smiles: N#CC(c1ccccc1OCc1ccccc1)Nc1ccccc1OC
STK555323
Synonyms: 2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3
STK555325
Synonyms: 2-(5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexan]-2-yl)phenol
Smiles: Oc1ccccc1c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2
STK555326
Synonyms: 4-[(2'R,3'R)-3'-acetyl-2,2-dimethyl-4,6-dioxo-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazin]-2'-yl]-2-methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)[C@H]1[C@H](C(=O)C)N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2
STK555328
Synonyms: (3aR,6aS)-3-(4-bromophenyl)-5-[4-chloro-3-(trifluoromethyl)phenyl]-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(c(c1)C(F)(F)F)Cl
STK555329
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC)CCCC3
STK555330
Synonyms: 2-{[6-amino-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino}ethanol
Smiles: OCCNc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)C
STK555331
Synonyms: 6-(4-bromophenyl)-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Brc1ccc(cc1)c1nn2c(s1)nnc2c1cccc(c1)Cl
STK555332
Synonyms: (6E)-6-[4-(dimethylamino)benzylidene]-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C/c3ccc(cc3)N(C)C)/C2=N)s1
STK555333
Synonyms: (6Z)-6-{4-[3-(2,5-dimethylphenoxy)propoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(c(c1)OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)C
STK555335
Synonyms: methyl5-methyl-3-[(2-phenylbutanoyl)amino]-1H-indole-2-carboxylate
Smiles: CCC(c1ccccc1)C(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC
STK555336
Synonyms: 11-{[(E)-(3-chlorophenyl)methylidene]amino}-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: Clc1cccc(c1)/C=N/n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1
STK555337
Synonyms: 10-(morpholin-4-yl)-2,7,8,9-tetrahydro-3H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thione
Smiles: S=c1[nH]nc2n1cnc1c2sc2c1c1CCCc1c(n2)N1CCOCC1
STK555338
Synonyms: 3-[5-(2,3-dimethylphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1cccc(c1C)C
STK555339
Synonyms: 4-[3-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: COc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O
STK555340
Synonyms: N-[2-(diethylamino)ethyl]-1-[(2-hydroxyethyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Smiles: OCCNc1c(ccc2c1C(=O)c1c(C2=O)cccc1)C(=O)NCCN(CC)CC
STK555341
Synonyms: 3-(2-methylpropyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1)C
STK555342
Synonyms: (5Z)-5-[(3-{3-[(4-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: Fc1ccc(cc1)COc1cccc(c1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCCCC1)c1ccccc1
STK555343
Synonyms: (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-]
STK555344
Synonyms: 8-ethoxy-5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Smiles: CCOc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1
STK555346
Synonyms: 3-(3-chlorophenyl)-1-(2-oxo-2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: Clc1cccc(c1)n1c(=O)n(CC(=O)c2ccccc2)c2c(c1=O)c1CCCCc1s2
STK555348
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3-methoxyphenyl)ethylidene]-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cccc(c1)/C(=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N)/C
STK555349
Synonyms: 6-cyclohexyl-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)C1CCCCC1
STK555350
Synonyms: (1'S,2'S,3R,3a'R)-2'-[(2-chlorophenyl)carbonyl]-1'-(furan-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)c1ccco1
STK555351
Synonyms: (6E)-6-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3ccccc3F)/C2=N)s1
STK555352
Synonyms: N~2~-[2-(morpholin-4-yl)ethyl]-5-nitro-N~4~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4,6-triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NCC1CCCO1)NCCN1CCOCC1
STK555354
Synonyms: 2-[4-(4-tert-butylphenoxy)quinazolin-2-yl]-6-methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(cc2)C(C)(C)C)c2c(n1)cccc2
STK555355
Synonyms: methyl7-acetyl-1-(2-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Smiles: COC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)C)c1ccccc1OC
STK555356
Synonyms: 3-hexyl-2-methyl-11-(4-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Smiles: CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)C
STK555357
Synonyms: (8S,8aR,11aS,11bS)-10-(3-chlorophenyl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2
STK555358
Synonyms: 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-phenylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccccc1
STK555360
Synonyms: (6E)-5-imino-6-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555362
Synonyms: 4-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(4-methoxyphenyl)-4-oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1ccccc1O
STK555363
Synonyms: 1-(furan-2-ylmethyl)-7,7-dimethyl-2-(4-methylphenyl)-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
Smiles: Cc1ccc(cc1)c1nc(=S)c2c(n1Cc1ccco1)CC(OC2)(C)C
STK555364
Synonyms: 6-(biphenyl-4-yl)-3-cyclohexyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: C1CCC(CC1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1
STK555365
Synonyms: (2Z)-N-(2-chlorophenyl)-2-cyano-2-[3-(3,4-dimethylphenyl)-5-(3-methoxybenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccc(c(c1)C)C)Cc1cccc(c1)OC)/C(=O)Nc1ccccc1Cl
STK555366
Synonyms: 4-(3-chlorophenyl)-7,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1cccc(c1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2
STK555367
Synonyms: 6-(4-ethylpiperazin-1-yl)-N~2~-(3-methylphenyl)-5-nitropyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cccc(c2)C)nc(c1[N+](=O)[O-])N
STK555369
Synonyms: 2-(benzylsulfanyl)-6,6-dimethyl-4-[(2-phenylethyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(SCCc3ccccc3)nc(nc1s2)SCc1ccccc1
STK555370
Synonyms: 2-(benzylsulfanyl)-N-(3-methoxypropyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: COCCCNc1nc(SCc2ccccc2)nc2c1c1CCCc1s2
STK555372
Synonyms: 2-[(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1
STK555375
Synonyms: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2CCSc1nc2c(o1)cccc2)N1CCN(CC1)Cc1ccccc1
STK555376
Synonyms: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: COc1ccc(cc1)C1=NC(C2=C(N1CCc1ccc(c(c1)OC)OC)CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F
STK555377
Synonyms: 2-[(2,4-dichlorobenzyl)sulfanyl]-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2sc3c(c2c(=O)n1C)CCCC3
STK555379
Synonyms: 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-2-oxoethyl]-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: Clc1ccc(cc1)C(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CC(OC3)(C)C
STK555381
Synonyms: N-phenyl-N'-(pyridin-3-yl)ethanediamide
Smiles: O=C(C(=O)Nc1ccccc1)Nc1cccnc1
STK555382
Synonyms: 2-{[4-amino-5-nitro-6-(piperidin-1-yl)pyrimidin-2-yl]amino}ethanol
Smiles: OCCNc1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-]
STK555383
Synonyms: 4-[(2,4-dichlorobenzyl)sulfanyl]-6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2Cl)Cl)c2c(n1)sc1c2CC(OC1)(C)CC
STK555384
Synonyms: 2-(4-methoxyphenyl)-9-(propan-2-yl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C(C)C
STK555386
Synonyms: N'-{(E)-[2-(benzyloxy)phenyl]methylidene}-2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccccc1OCc1ccccc1
STK555387
Synonyms: 4-{[(8R,8aR,11aS,11bS)-10-(2-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3
STK555392
Synonyms: 9-(4-ethoxyphenyl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8(9H)-one
Smiles: CCOc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1
STK555393
Synonyms: 6-cyclohexyl-3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccc(cc1)c1nnc2n1nc(s2)C1CCCCC1
STK555396
Synonyms: 7-methoxy-3-(tetrahydrofuran-2-ylmethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CC1CCCO1
STK555400
Synonyms: 3-(2,4-dimethoxyphenyl)-5-(2-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1cc(OC)ccc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1C)c1ccccc1
STK555402
Synonyms: 3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-2-oxoethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Smiles: Clc1ccc(cc1)C(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CCCC3
STK555403
Synonyms: N-benzyl-2-{[5-(benzylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Smiles: O=C(CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1)NCc1ccccc1
STK555406
Synonyms: 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1c1ccccc1)CSc1nc(C)cc(n1)C
STK555407
Synonyms: N-[4-(diethylamino)phenyl]-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1)CC
STK555408
Synonyms: (8S,8aR,11aS,11bS)-10-(naphthalen-1-yl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3)Nc1ccccc1
STK555409
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(CC)C)nnc1c1ccc(cc1)C(C)(C)C
STK555412
Synonyms: 8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(Cc1nc2c(n1C(C(=O)C)C)c(=O)n(c(=O)n2C)C)Cc1ccccc1
STK555413
Synonyms: 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1cccc(c1)[N+](=O)[O-]
STK555414
Synonyms: 8,8-dimethyl-3-(3-methylbutyl)-2-propyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CCCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1CCC(C)C)(C)C
STK555415
Synonyms: (4aR,4bS,7aR,8S)-6-(4-acetylphenyl)-8-[(4-fluorophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C
STK555416
Synonyms: (6Z)-6-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccc(cc1)F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555418
Synonyms: N~2~,N~2~-dimethyl-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)N(C)C
STK555419
Synonyms: 2-[(2,4-dimethylbenzyl)sulfanyl]-3-methoxyquinazolin-4(3H)-one
Smiles: COn1c(SCc2ccc(cc2C)C)nc2c(c1=O)cccc2
STK555420
Synonyms: 2-{[3-(4-ethoxyphenyl)-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)c1CC(C)(C)OCc1s2
STK555421
Synonyms: 3-methoxy-2-[(2-methoxyethyl)sulfanyl]quinazolin-4(3H)-one
Smiles: COCCSc1nc2ccccc2c(=O)n1OC
STK555422
Synonyms: (6Z)-6-{4-[(4-chlorobenzyl)oxy]benzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555425
Synonyms: 2-{[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2cccc(c2)C(F)(F)F)c2c(n1)CC(OC2)(C)C
STK555427
Synonyms: (4aR,4bS,7aR,8S)-6-(2-methyl-4-nitrophenyl)-5,7-dioxo-N-phenyl-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-])Nc1ccccc1
STK555429
Synonyms: N~2~-(3,4-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N
STK555430
Synonyms: 4-[3-(4-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzene-1,2-diol
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O
STK555431
Synonyms: 1-(2-chlorobenzyl)-2-imino-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Smiles: Clc1ccccc1Cn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1
STK555433
Synonyms: 2-[(3-bromobenzyl)sulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)Br)nc2c(c1=O)c1CCCCc1s2
STK555434
Synonyms: 2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2E,3E)-4-phenylbut-3-en-2-ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C(/C=C/c1ccccc1)\C
STK555435
Synonyms: 2-[(2-chlorobenzyl)sulfanyl]-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1cccc(c1)n1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK555437
Synonyms: (6aR,6bS,9aR,10S)-8-cyclohexyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(C2CCCCC2)C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3
STK555438
Synonyms: 3-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(c(c1)OC)O
STK555440
Synonyms: (6Z)-6-{4-[(4-chlorobenzyl)oxy]-3-ethoxybenzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555441
Synonyms: N-(3-chloro-2-methylphenyl)-2-{[3-(2-methylpropyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3
STK555442
Synonyms: (4aR,4bS,7aR,8S)-6-benzyl-8-[(4-fluorophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1
STK555444
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(benzyloxy)phenyl]methylidene}-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/c1ccc(cc1)OCc1ccccc1
STK555445
Synonyms: 5-(benzylsulfanyl)-3-[(4-fluorobenzyl)sulfanyl]-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: Fc1ccc(cc1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1
STK555446
Synonyms: (2E)-1,3,3-trimethyl-2-[(2E,4E,6E)-7-phenylhepta-2,4,6-trien-1-ylidene]-2,3-dihydro-1H-indole
Smiles: CN1c2ccccc2C(/C/1=C\C=C\C=C\C=C\c1ccccc1)(C)C
STK555448
Synonyms: 5-(3-bromophenyl)-9-chloro-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)Br)c1ccccc1
STK555450
Synonyms: (6Z)-6-{3-ethoxy-4-[(2-fluorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCc1ccccc1F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555451
Synonyms: N-[(1E)-3-(diethylamino)-1-(1-methyl-1H-indol-3-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Smiles: CCN(C(=O)/C(=C\c1cn(c2c1cccc2)C)/NC(=O)c1ccc(cc1)OC)CC
STK555453
Synonyms: 3-{[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]amino}-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCOc1cc(ccc1O)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)OC
STK555455
Synonyms: 2,2-dimethyl-N-(3-methylbutyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CC(CCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1)C
STK555456
Synonyms: 4-(5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentan]-2-yl)phenol
Smiles: Oc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2
STK555457
Synonyms: N~2~-(butan-2-yl)-N~4~-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCC(Nc1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-])C
STK555458
Synonyms: 3-(4-tert-butylphenyl)-5-[(4-methoxybenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)OC)nnc1c1ccc(cc1)C(C)(C)C
STK555460
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCOc1ccccc1OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555461
Synonyms: (6E)-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1
STK555462
Synonyms: N-(4-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)CC
STK555463
Synonyms: 6-(4-methylpiperazin-1-yl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidin-4-amine
Smiles: CN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCC1
STK555464
Synonyms: 2-methyl-7-{[3-(piperazin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCNCC1
STK555465
Synonyms: 6-(azepan-1-yl)-N~2~-methyl-5-nitro-N~2~-phenylpyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)N(c1ccccc1)C
STK555466
Synonyms: 1-amino-N-(3-chlorophenyl)-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1
STK555468
Synonyms: 2-{4-[(E)-(2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenoxy}acetamide
Smiles: O=C(N/N=C/c1ccc(cc1)OCC(=O)N)CSc1nncn1C
STK555469
Synonyms: (6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)OCCn1cccc1/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2
STK555470
Synonyms: 7-(2-fluorophenyl)-5-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(N1)ncn2)c1ccccc1F
STK555471
Synonyms: N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])N/N=C/c1c(C)nn(c1Cl)c1ccccc1
STK555472
Synonyms: N-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CC1CCN(CC1)c1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]
STK555473
Synonyms: (6Z)-6-{3-chloro-4-[2-(4-ethylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1ccc(cc1)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555475
Synonyms: N'-[(E)-(2-fluorophenyl)methylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccccc1F
STK555477
Synonyms: 2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-ol3-oxide
Smiles: O/N=C/c1n(O)cc[n+]1[O-]
STK555478
Synonyms: 2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)NCCc1ccccc1)nn2)CC(OC3)(C)C
STK555479
Synonyms: (1'S,2'S,3R,3a'R)-1'-(2,2-dimethylpropanoyl)-7'-methoxy-2'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1
STK555480
Synonyms: 5-(3,4-dichlorophenyl)-3-(2,5-dimethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccc(c(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(c(c1)Cl)Cl)OC
STK555483
Synonyms: 1-[(3,4-dimethoxybenzyl)oxy]-3-(4-fluorophenyl)quinoxalin-2(1H)-one4-oxide
Smiles: COc1cc(ccc1OC)COn1c2ccccc2[n+](c(c1=O)c1ccc(cc1)F)[O-]
STK555484
Synonyms: N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
Smiles: CCCCCCC(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)Cl)O
STK555486
Synonyms: (5Z)-5-(2-chlorobenzylidene)-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
STK555487
Synonyms: N-(4-chlorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK555488
Synonyms: 2-amino-1-(3,4-dimethoxybenzyl)-N-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: C=CCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(c(c1)OC)OC
STK555489
Synonyms: (6Z)-6-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1cc(OCCOc2ccc(cc2Cl)/C=C/2\C(=O)N=c3n(C2=N)nc(s3)c2cccnc2)cc(c1)C
STK555492
Synonyms: 6-(2,6-dimethoxyphenyl)-3-(2-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1sc2n(n1)c(nn2)c1ccccc1C)OC
STK555493
Synonyms: N~2~-(butan-2-yl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCC(Nc1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-])C
STK555494
Synonyms: 2,2-dimethyl-5-(2-methylpropyl)-8-(propylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CCCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C
STK555495
Synonyms: N-[4-(diethylamino)phenyl]-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C)CC
STK555496
Synonyms: 5-methyl-2-(propan-2-yl)cyclohexyl[(4-chlorophenyl)(hydroxy)methyl][4-(dimethylamino)phenyl]phosphinate
Smiles: CC1CCC(C(C1)OP(=O)(C(c1ccc(cc1)Cl)O)c1ccc(cc1)N(C)C)C(C)C
STK555499
Synonyms: 3,6-bis(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nn2c(s1)nnc2c1cccc(c1)Cl
STK555500
Synonyms: 3-(4-ethoxyphenyl)-6-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1cccs1
STK555501
Synonyms: (6Z)-6-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccccc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555502
Synonyms: 1-[(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino]propan-2-ol
Smiles: CC(CNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1)O
STK555503
Synonyms: 6-tert-butyl-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CC(C1=Nn2c(SC1)nnc2c1ccccc1)(C)C
STK555504
Synonyms: 3-{[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]amino}-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)/N=C/c1cc(OC)c(c(c1)OC)O
STK555505
Synonyms: 3-(4-chlorophenyl)-7-methyl-2-sulfanyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)S)c1ccc(cc1)Cl
STK555506
Synonyms: 3-(2-chloro-4-nitrophenyl)-6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4(3H)-one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(o1)[N+](=O)[O-])c1ccc(cc1Cl)[N+](=O)[O-]
STK555507
Synonyms: 6-(2,6-dimethoxyphenyl)-3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1c(OC)cccc1OC
STK555509
Synonyms: (2'R,3'R)-3'-[(4-methoxyphenyl)carbonyl]-2,2-dimethyl-2'-phenyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccccc1)C(=O)OC(OC2=O)(C)C)cccc3
STK555510
Synonyms: (6E)-5-imino-6-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1cn(c2c1cccc2)CCOc1ccccc1)c1cccnc1
STK555512
Synonyms: ethyl[(3-methoxy-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2ccccc2c(=O)n1OC
STK555513
Synonyms: N~4~-(3-fluorophenyl)-N~2~-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: COc1cccc(c1)Nc1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]
STK555514
Synonyms: 4-(4-chlorophenyl)-1-[(2,4-dichlorobenzyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccc(cc1Cl)Cl
STK555515
Synonyms: 4-[({[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)O)nc2c(c1=O)c1CCCCc1s2
STK555516
Synonyms: 2-(4-chlorophenyl)-3-{2-[2-(2-ethoxyphenoxy)ethoxy]ethyl}quinazolin-4(3H)-one
Smiles: CCOc1ccccc1OCCOCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)Cl
STK555517
Synonyms: (3aR,6aS)-5-(2-methoxy-5-nitrophenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]
STK555520
Synonyms: N-(2-chlorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
STK555521
Synonyms: methyl(3Z)-3-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]-2-oxo-2,3-dihydro-1H-indole-1-carboxylate
Smiles: COC(=O)N1C(=O)/C(=N\NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)/c2c1cccc2
STK555522
Synonyms: 1-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCN(CC1)c1ccccc1)O)c(n2Cc1ccccc1)C
STK555524
Synonyms: 9-chloro-2-(furan-2-yl)-5-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccccc1)c1ccco1
STK555525
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-methoxy-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}phenyl)methylidene]-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1CSc1nnc(s1)C)/C=N/NC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N
STK555526
Synonyms: 2-(4-ethylphenyl)-5,6-diphenyl-1H-imidazo[1,2-a]imidazole
Smiles: CCc1ccc(cc1)c1cn2c([nH]1)nc(c2c1ccccc1)c1ccccc1
STK555527
Synonyms: (2Z)-6-(2-chlorobenzyl)-2-(3-methoxy-4-propoxybenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: CCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl
STK555528
Synonyms: (5Z)-5-(2-chlorobenzylidene)-2-[4-(naphthalen-1-yl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1cccc2c1cccc2
STK555529
Synonyms: (2Z)-2-[5-(2-chlorobenzyl)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1C)Cc1ccccc1Cl)/C(=O)Nc1ccc(cc1)C
STK555530
Synonyms: ethyl4-[(1,4-dioxa-8-azaspiro[4.5]dec-8-ylacetyl)amino]-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCC3(CC1)OCCO3)c(OC)cc2)C
STK555531
Synonyms: 4-({(1'S,2'S,3R,3a'R)-2'-[(2-chlorophenyl)carbonyl]-2-oxo-1,1',2,2'-tetrahydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-1'-yl}carbonyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1
STK555532
Synonyms: ethyl5-chloro-3-({[1-(4-methylphenyl)cyclopropyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)cc(cc2)Cl
STK555535
Synonyms: N,N-diethyl-2,2-dimethyl-10-(methylsulfanyl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CSc1nc(N(CC)CC)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)C(C)C
STK555536
Synonyms: 2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1
STK555537
Synonyms: (6E)-5-imino-6-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylidene}-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3ccccc3C)/C2=N)s1
STK555539
Synonyms: N~4~-(4-ethoxyphenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCc2ccc(cc2)C)nc(c1[N+](=O)[O-])N
STK555540
Synonyms: 2-(morpholin-4-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)N1CCOCC1
STK555542
Synonyms: 3-[(2-chlorobenzyl)sulfanyl]-10-ethyl-10-methyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccccc1Cl)nn2)CC(OC3)(C)CC
STK555543
Synonyms: 3-[(2-chlorobenzyl)sulfanyl]-10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccccc1Cl)nn2)CC(OC3)(C)C
STK555544
Synonyms: 2-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]
STK555545
Synonyms: 3-(2-chlorophenyl)-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1Cl
STK555546
Synonyms: 2-(4-chlorophenyl)-3-[2-(4-fluorophenoxy)ethyl]quinazolin-4(3H)-one
Smiles: Fc1ccc(cc1)OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)Cl
STK555547
Synonyms: (5Z)-5-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1
STK555548
Synonyms: 2-{[6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-phenylethyl)acetamide
Smiles: CCCSc1nc(SCC(=O)NCCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)CC
STK555550
Synonyms: (8S,8aR,11aS,11bS)-10-(2-methoxyphenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2
STK555552
Synonyms: 3-[(2-fluorobenzyl)sulfanyl]-10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccccc1F)nn2)CC(OC3)(C)C
STK555553
Synonyms: N-(4-methylphenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carbothioamide
Smiles: Cc1ccc(cc1)NC(=S)N1CCc2c(C1)c1ccccc1[nH]2
STK555554
Synonyms: 7-chloro-9-(methylsulfanyl)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: CSc1nc(Cl)c2c(n1)c1c(s2)nc(c2c1CCC2)c1ccccc1
STK555556
Synonyms: 3-(4-chlorophenyl)-2-[(4-methoxybenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: COc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3
STK555557
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(2,4,6-trimethylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(C)cc(cc1C)C)C
STK555559
Synonyms: (2Z)-2-cyano-N-(4-methylphenyl)-2-{(5E)-3-(2-methylphenyl)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-1,3-thiazolidin-2-ylidene}ethanamide
Smiles: C=CCOc1ccc(cc1)/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccccc1C
STK555560
Synonyms: 3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccccc1
STK555561
Synonyms: 3-butyl-5-(2-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCC1N(OC2C1C(=O)N(C2=O)c1ccccc1C)c1ccccc1
STK555562
Synonyms: 3-(2,4-dichlorophenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2c1ccc(cc1Cl)Cl
STK555564
Synonyms: 4-(4-chlorophenyl)-7-methyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccccc3)nnc2n(c1=O)c1ccc(cc1)Cl
STK555566
Synonyms: 5-(4-chlorophenyl)-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1ccc(cc1)[N+](=O)[O-]
STK555567
Synonyms: 5-(2-methylphenyl)-3-(4-nitrophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2C(C(=O)N1c1ccccc1C)ON(C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1
STK555568
Synonyms: 3-(3-chlorophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1cccc(c1)n1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2
STK555569
Synonyms: 3-(3-ethoxyphenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)COc1ccccc1
STK555571
Synonyms: 4-benzyl-1-(benzylsulfanyl)-6-ethyl-6-methyl-6,7-dihydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c1n2c(SCc2ccccc2)nn1)Cc1ccccc1
STK555573
Synonyms: (6Z)-6-[3-chloro-4-(2-phenoxyethoxy)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCCOc1ccccc1)c1cccnc1
STK555575
Synonyms: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCN(CC1)c1ccccc1)O
STK555577
Synonyms: 3-(4-chloro-2-oxo-3-phenyl-2,3-dihydro-1,3-thiazol-5-yl)-5-(4-methylphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1sc(=O)n(c1Cl)c1ccccc1)c1ccccc1
STK555578
Synonyms: (6Z)-6-{4-[3-(4-chlorophenoxy)propoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555579
Synonyms: N-[4-(butan-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1)C
STK555580
Synonyms: 2-(8,8-dimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)-N-(4-methylphenyl)propanamide
Smiles: O=C(C(n1cnc2c(c1=O)sc1c2cc2c(n1)CC(OC2)(C)C)C)Nc1ccc(cc1)C
STK555581
Synonyms: N'-[(3Z)-1-(azepan-1-ylmethyl)-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-2-(2-methoxyphenoxy)acetohydrazide
Smiles: COc1ccccc1OCC(=O)N/N=C\1/c2cc(Br)ccc2N(C1=O)CN1CCCCCC1
STK555583
Synonyms: 3-(pyrrolidin-1-yl)propyl1-phenylcyclopentanecarboxylate
Smiles: O=C(C1(CCCC1)c1ccccc1)OCCCN1CCCC1
STK555586
Synonyms: N-benzyl-2-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
Smiles: CCN1CCN(CC1)c1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]
STK555587
Synonyms: 4-{[(4aS,4bR,7aS,8R)-6-(2-chlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1Cl
STK555588
Synonyms: N,N-diethyl-4-[3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1cccc(c1)C)CC
STK555589
Synonyms: 4-(3-chlorophenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n2c1nnc2S
STK555590
Synonyms: 4-[(2-chlorobenzyl)sulfanyl]-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Smiles: Cc1nc(SCc2ccccc2Cl)c2c(n1)c1cc3COC(Cc3nc1s2)(C)C
STK555591
Synonyms: (6Z)-6-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccc(c(c1)C)Cl)c1cccnc1
STK555592
Synonyms: 2-(benzylsulfanyl)-6,6-dimethyl-4-[(2-methylprop-2-en-1-yl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Smiles: CC(=C)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2
STK555593
Synonyms: 4-{[(8R,8aR,11aS,11bS)-10-(4-chlorophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-8-yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl)cccc3
STK555594
Synonyms: (6Z)-6-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccccc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555595
Synonyms: 1-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-3-(2-phenylethyl)urea(non-preferredname)
Smiles: NNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1
STK555596
Synonyms: (6Z)-6-{3-bromo-4-[(2-fluorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Br)OCc1ccccc1F)c1cccnc1
STK555597
Synonyms: (5Z)-2-(4-benzylpiperazin-1-yl)-5-{[3-(3-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Smiles: CCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1
STK555598
Synonyms: 2-{[3-(3-chlorophenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl
STK555599
Synonyms: 2-({4-amino-6-[(3-chlorophenyl)amino]-5-nitropyrimidin-2-yl}amino)ethanol
Smiles: OCCNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]
STK555600
Synonyms: (8S,8aR,11aS,11bS)-10-(2-fluorophenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)cccc3)c1ccccc1
STK555601
Synonyms: 4-(4-chlorophenyl)-7-methyl-1-[(4-nitrobenzyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCc3ccc(cc3)[N+](=O)[O-])nnc2n(c1=O)c1ccc(cc1)Cl
STK555602
Synonyms: (2'S,3'R)-3'-acetyl-2'-(2-chlorophenyl)-2,2-dimethyl-2',3'-dihydro-10b'H-spiro[1,3-dioxane-5,1'-pyrrolo[2,1-a]phthalazine]-4,6-dione
Smiles: CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccccc1Cl)C(=O)OC(OC2=O)(C)C)cccc3
STK555603
Synonyms: N~2~-(2,5-dimethoxyphenyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-])OC
STK555605
Synonyms: 3-[2-(4-fluorophenyl)ethyl]-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCc1ccc(cc1)F
STK555606
Synonyms: 2-{[10-ethyl-10-methyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(1-phenylpropan-2-yl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)NC(Cc1ccccc1)C)SC
STK555607
Synonyms: N'-{(E)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
STK555608
Synonyms: 6-tert-butyl-3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CC(C1=Nn2c(SC1)nnc2c1ccc(cc1)Cl)(C)C
STK555609
Synonyms: 3-(4-ethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1cc(OC)c(c(c1)OC)OC
STK555610
Synonyms: (5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccccc1
STK555611
Synonyms: 3-(4-tert-butylphenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: CC(c1ccc(cc1)c1nnc2n1N=C(CS2)c1ccccc1)(C)C
STK555613
Synonyms: (6aS,6bR,9aS,10R)-3-chloro-5-methyl-8-(naphthalen-2-yl)-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Clc1ccc2c(c1)C(=C[C@@H]1N2[C@@H](C(=O)c2ccccc2)[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2)C
STK555614
Synonyms: (6E)-6-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555615
Synonyms: 6-(3-bromophenyl)-3-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Cc1ccc(cc1)c1nnc2n1N=C(CS2)c1cccc(c1)Br
STK555618
Synonyms: (5Z)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccc(c(c1)Cl)C
STK555619
Synonyms: N'-[(1E)-1-(2,4-dimethoxyphenyl)ethylidene]-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(c(c1)OC)/C(=N/NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])/C
STK555621
Synonyms: (8S,8aR,11aS,11bS)-10-(2,4-dimethylphenyl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2
STK555623
Synonyms: N-benzyl-2-{[4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)NCc3ccccc3)nnc2n(c1=O)c1ccc(cc1)Cl
STK555624
Synonyms: 2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3
STK555626
Synonyms: (8S,8aR,11aS,11bS)-10-(naphthalen-1-yl)-8-(phenylcarbonyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: O=C([C@@H]1[C@H]2[C@@H]([C@@H]3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1cccc2c1cccc2)c1ccccc1
STK555627
Synonyms: (6Z)-6-{3-chloro-4-[(4-methylbenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Cc1ccc(cc1)COc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555628
Synonyms: ethyl(2Z)-2-{[(2-fluorophenyl)carbonyl]imino}-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccccc2F)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC
STK555629
Synonyms: N~2~-(4-methylbenzyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-]
STK555630
Synonyms: 2-[(2-chlorophenoxy)methyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: Clc1ccccc1OCc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2
STK555631
Synonyms: (6Z)-6-{3-chloro-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccccc1OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555632
Synonyms: 2-{[4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)Nc3cccc(c3)C)nnc2n(c1=O)c1ccc(cc1)Cl
STK555633
Synonyms: (3S,3'S,3a'S,6a'R)-5'-(3-bromophenyl)-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Brc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N[C@H]2C(C)C)C(=O)Nc2c1cccc2
STK555635
Synonyms: methyl4,6-dimethyl-3-[(phenylcarbonyl)amino]thieno[2,3-b]pyridine-2-carboxylate
Smiles: COC(=O)c1sc2c(c1NC(=O)c1ccccc1)c(C)cc(n2)C
STK555636
Synonyms: N-(4-chlorophenyl)-2-(2,8,8-trimethyl-4-oxo-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)acetamide
Smiles: O=C(Cn1c(C)nc2c(c1=O)sc1c2cc2c(n1)CC(OC2)(C)C)Nc1ccc(cc1)Cl
STK555637
Synonyms: 2-(4-methylpiperazin-1-yl)-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine
Smiles: CN1CCN(CC1)c1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]
STK555638
Synonyms: 12-(prop-2-en-1-yl)-9-(prop-2-en-1-ylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: C=CCn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCC=C)CCCCC3
STK555639
Synonyms: N,N-diethyl-N'-[2-ethyl-2-methyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]ethane-1,2-diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CC(C)(CC)OCc2c(n1)N1CCOCC1)CC
STK555640
Synonyms: 2-bromo-4-(9-chloro-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)-6-methoxyphenylacetate
Smiles: COc1cc(cc(c1OC(=O)C)Br)C1Oc2ccc(cc2C2N1N=C(C2)c1ccccc1)Cl
STK555641
Synonyms: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)C
STK555642
Synonyms: 2-{[4-(4-chlorophenyl)-7-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C
STK555643
Synonyms: (6Z)-5-imino-6-{3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
STK555644
Synonyms: 2-(4-ethoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclopentane]
Smiles: CCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2
STK555646
Synonyms: 1-[2-(diethylamino)ethyl]-7,7-dimethyl-2-(4-methylphenyl)-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
Smiles: CCN(CCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccc(cc1)C)CC
STK555647
Synonyms: butyl4-[(4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-5,7-dioxo-4b,5,7a,8-tetrahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazin-6(7H)-yl]benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(c(c2)OC)OC)N=CC=C1
STK555648
Synonyms: (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]
STK555649
Synonyms: 3-(3-chlorophenyl)-1-(2-phenylethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n(c1=O)CCc1ccccc1
STK555650
Synonyms: (8S,8aR,11aS,11bS)-10-(2-chlorophenyl)-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(8aH,10H)-dione
Smiles: Clc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2
STK555653
Synonyms: 5-(4-butoxyphenyl)-3-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)F
STK555654
Synonyms: 2-methoxy-6-[4-(prop-2-en-1-ylamino)quinazolin-2-yl]phenol
Smiles: C=CCNc1nc(nc2c1cccc2)c1cccc(c1O)OC
STK555655
Synonyms: (2Z)-2-cyano-2-{(5E)-3-(3,4-dimethylphenyl)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-1,3-thiazolidin-2-ylidene}-N-(4-methylphenyl)ethanamide
Smiles: C=CCOc1ccc(cc1)/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccc(c(c1)C)C
STK555656
Synonyms: (6aR,6bS,9aR,10S)-8-(2,4-dimethylphenyl)-10-(furan-2-ylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1
STK555658
Synonyms: 2-ethyl4-methyl5-{3-[hydroxy(phenyl)amino]-2,5-dioxopyrrolidin-1-yl}thiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1sc(c(c1)C(=O)OC)N1C(=O)CC(C1=O)N(c1ccccc1)O
STK555660
Synonyms: 3-(4-chlorophenyl)-7-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCC(=O)c1ccccc1)c1ccc(cc1)Cl
STK555661
Synonyms: 2-({6-amino-5-nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N
STK555662
Synonyms: 2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3
STK555663
Synonyms: 2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-3-(2,4-dimethylphenyl)quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(cc2)N(C)C)nc2c(c1=O)cccc2
STK555664
Synonyms: 3-(2-chlorophenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Clc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1
STK555666
Synonyms: (2Z)-2-cyano-N-(4-methylphenyl)-2-{(5E)-3-(4-methylphenyl)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-1,3-thiazolidin-2-ylidene}ethanamide
Smiles: C=CCOc1ccc(cc1)/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccc(cc1)C
STK555667
Synonyms: ethylN-({[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3
STK555669
Synonyms: N~2~-(butan-2-yl)-N~4~-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCC(Nc1nc(Nc2ccccc2OC)c(c(n1)N)[N+](=O)[O-])C
STK555670
Synonyms: N-(3-chloro-2-methylphenyl)-2-[(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1
STK555671
Synonyms: (3aR,6aS)-3-(2,4-dichlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1Cl)Cl)[N+](=O)[O-]
STK555672
Synonyms: 4-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl]-N-(4-methoxyphenyl)-4-oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1cccc(c1O)OC
STK555673
Synonyms: methyl(1R,2R,3R,3aS)-1-{[4-(acetyloxy)phenyl]carbonyl}-3-cyano-2-(furan-2-yl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoline-3-carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H](c2ccco2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C
STK555675
Synonyms: 3-(3-chlorophenyl)-2-[(2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Smiles: Clc1cccc(c1)n1c(SCCc2ccccc2)nc2c(c1=O)cc1c(n2)CCCC1
STK555676
Synonyms: dimethyl5,5'-(piperazine-1,4-diyldimethanediyl)difuran-2-carboxylate
Smiles: COC(=O)c1ccc(o1)CN1CCN(CC1)Cc1ccc(o1)C(=O)OC
STK555677
Synonyms: 6-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1cccc(c1)OCC
STK555678
Synonyms: (2Z)-2-cyano-2-[5-(3,4-dimethylbenzyl)-3-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]ethanamide
Smiles: COc1cccc(c1)N1C(=O)C(S/C/1=C(\C(=O)N)/C#N)Cc1ccc(c(c1)C)C
STK555679
Synonyms: N~2~-(butan-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
Smiles: CCN1CCN(CC1)c1nc(NC(CC)C)nc(c1[N+](=O)[O-])N
STK555681
Synonyms: methyl5-bromo-3-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc(c(c1)OC)OC)cc(cc2)Br
STK555682
Synonyms: 10,10-dimethyl-3-(methylsulfanyl)-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SC)nn2)CC(OC3)(C)C
STK555684
Synonyms: N-[5-(piperidin-1-ylacetyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]-2-propylpentanamide
Smiles: CCCC(C(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1CC2)CCC
STK555685
Synonyms: 5-(4-fluorophenyl)-3-(2-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1
STK555687
Synonyms: methyl6-methoxy-3-({[1-(4-methylphenyl)cyclopropyl]carbonyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)ccc(c2)OC
STK555688
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-{(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}acetohydrazide
Smiles: Cc1cc(nn1CC(=O)N/N=C/c1cccc(c1O)CC=C)C
STK555689
Synonyms: 2-{[6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccccc2C)c2c(n1)sc1c2CC(OC1)(C)C
STK555690
Synonyms: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4(3H)-one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccccc2)nc2c(c1=O)cc(cc2)I
STK555691
Synonyms: (2E)-2-(2-acetyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-N-(2-fluorophenyl)-3-hydroxy-3-(thioformylamino)prop-2-enamide
Smiles: S=CN/C(=C(/C1N(CCc2c1cccc2)C(=O)C)\C(=O)Nc1ccccc1F)/O
STK555692
Synonyms: 5-benzyl-3-(2-chlorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: O=C1C2ON(C(C2C(=O)N1Cc1ccccc1)c1ccccc1Cl)c1ccccc1
STK555693
Synonyms: 2-(4-methoxyphenyl)-3-[5-(4-methylphenoxy)pentyl]quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccc(cc1)C
STK555694
Synonyms: 6-(1,3-benzodioxol-5-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2
STK555695
Synonyms: 2-[(6-bromo-2-methylquinolin-4-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide
Smiles: Cc1cc(SCC(=O)NCCO)c2c(n1)ccc(c2)Br
STK555696
Synonyms: N~2~-(furan-2-ylmethyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCc1ccco1
STK555697
Synonyms: N'-{(E)-[4-(benzyloxy)phenyl]methylidene}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccc(cc1)OCc1ccccc1
STK555698
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)N(C)C
STK555699
Synonyms: 4-{(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl}-N-(4-methoxyphenyl)-4-oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C(/c1ccc(cc1OC)OC)\C
STK555700
Synonyms: 3-(4-methylphenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
STK555701
Synonyms: 2-(2-{[4-amino-5-nitro-6-(phenylamino)pyrimidin-2-yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)Nc1ccccc1)[N+](=O)[O-]
STK555702
Synonyms: (2Z)-2-{4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-3-ethoxybenzylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Smiles: CCOc1cc(ccc1OCCCOc1cc(C)c(c(c1)C)Cl)/C=c/1\sc2n(c1=O)c1c(n2)cccc1
STK555703
Synonyms: 4-[3-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)N(CC)CC
STK555704
Synonyms: N~4~-(2-methoxyphenyl)-5-nitro-N~2~-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine
Smiles: C=CCNc1nc(Nc2ccccc2OC)c(c(n1)N)[N+](=O)[O-]
STK555705
Synonyms: 3-(4-ethoxyphenyl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)C
STK555706
Synonyms: (2Z)-6-(3,4-dimethoxybenzyl)-2-[4-(propan-2-yl)benzylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(cc1)C(C)C)/c2=O
STK555707
Synonyms: 3-(4-chlorophenyl)-2-[(2,6-dichlorobenzyl)sulfanyl]-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1ccc(cc1)n1c(SCc2c(Cl)cccc2Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2
STK555709
Synonyms: (5Z)-5-(2-ethoxybenzylidene)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-1,3-thiazol-4(5H)-one
Smiles: CCOc1ccccc1/C=C/1\SC(=NC1=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
STK555710
Synonyms: 8-(hexylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCNc1nc2c(n1CC(COc1ccccc1C)O)c(=O)n(c(=O)n2C)C
STK555711
Synonyms: 4-(3-chlorophenyl)-1-[(2,6-dichlorobenzyl)sulfanyl]-7,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1cccc(c1)n1c2nnc(n2c2c(c1=O)c1CC(C)(C)OCc1s2)SCc1c(Cl)cccc1Cl
STK555712
Synonyms: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C1=O
STK555713
Synonyms: 3-[6-(2,6-dimethylphenoxy)hexyl]-2-(4-methoxyphenyl)quinazolin-4(3H)-one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1c(C)cccc1C
STK555714
Synonyms: (6Z)-6-{3-chloro-4-[(4-chlorobenzyl)oxy]benzylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)COc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555716
Synonyms: 3-(2,4-dimethylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodoquinazolin-4(3H)-one
Smiles: Oc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1C)C)I
STK555717
Synonyms: 4-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)N(C)C
STK555718
Synonyms: 3-(4-ethoxyphenyl)-6-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)COc1ccccc1
STK555719
Synonyms: N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
Smiles: O=C(Cn1ccc(n1)C)N/N=C/c1cc(ccc1O)[N+](=O)[O-]
STK555721
Synonyms: N~2~,N~2~-diethyl-N~4~-(2-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Smiles: CCN(c1nc(Nc2ccccc2OC)c(c(n1)N)[N+](=O)[O-])CC
STK555722
Synonyms: (4-methoxyphenyl)[(4-methylphenyl)amino]acetonitrile
Smiles: N#CC(c1ccc(cc1)OC)Nc1ccc(cc1)C
STK555724
Synonyms: N-(2-chlorophenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3
STK555725
Synonyms: 2-(2,6-dimethylmorpholin-4-yl)-5-nitro-N-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine
Smiles: CC1OC(C)CN(C1)c1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]
STK555726
Synonyms: 7-(4-fluorobenzyl)-1,3-dimethyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/c2cccc(c2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C
STK555727
Synonyms: (5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-[(morpholin-4-ylamino)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)/C(=C/NN2CCOCC2)/C(=O)N1CCC1=CCCCC1
STK555728
Synonyms: 3-(4-tert-butylphenyl)-6-(3-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1sc2n(n1)c(nn2)c1ccc(cc1)C(C)(C)C
STK555730
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-[2-(morpholin-4-yl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: COc1cc(CCNC(=O)c2cc3c(n(c2=N)CCN2CCOCC2)nc2n(c3=O)cccc2)ccc1OC
STK555731
Synonyms: (6aS,6bR,9aS,10R)-3-chloro-8-(4-methoxyphenyl)-5-methyl-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=C(C)c2c1ccc(c2)Cl)C(=O)c1ccccc1
STK555733
Synonyms: N-(5-chloro-2-methylphenyl)-2-{[3-(4-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3
STK555734
Synonyms: (5Z)-5-(2-butoxybenzylidene)-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
Smiles: CCCCOc1ccccc1/C=C/1\SC(=NC1=O)N1CCCC1
STK555736
Synonyms: N-(4-ethoxyphenyl)-2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1
STK555737
Synonyms: N-(3-chloro-2-methylphenyl)-2-[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3
STK555739
Synonyms: (8S,8aR,11aS,11bS)-10-(2-methoxy-5-nitrophenyl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2)[N+](=O)[O-]
STK555740
Synonyms: N-(4-chlorophenyl)-2-{[4-oxo-3-(2-phenylethyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3
STK555741
Synonyms: (6Z)-6-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(cc(c1OCCOc1ccccc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
STK555742
Synonyms: 2-[(Z)-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-3-(2-chloro-4-nitrophenyl)quinazolin-4(3H)-one
Smiles: Brc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-])/C(=O)N2