FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK629952
Synonyms: 5-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxy-N-[4-(pyrrolidin-1-yl)phenyl]benzenesulfonamide
Smiles: COc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)N1CCCC1)N1C(=O)C(CS1(=O)=O)(C)C

STK629956
Synonyms: 3-(4-methoxyphenyl)-7-[2-oxo-2-(thiomorpholin-4-yl)ethoxy]-4H-chromen-4-one
Smiles: COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OCC(=O)N1CCSCC1

STK629959
Synonyms: (4E)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(2-methoxyethyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
Smiles: COCCN1C(c2ccc(o2)C)/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\O)/C(=O)C1=O

STK629960
Synonyms: (2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Smiles: O=C1/C(=C\c2cn(c3c2cccc3)C)/Oc2c1ccc(c2C[NH+]1CCCCC1)[O-]

STK629961
Synonyms: 5-methyl-10-[(3-nitrophenyl)carbonyl]-8-(tetrahydrofuran-2-ylmethyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C(C1C2C(=O)N(C(=O)C2C2N1c1ccccc1C(=C2)C)CC1CCCO1)c1cccc(c1)[N+](=O)[O-]

STK629963
Synonyms: (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/O

STK629964
Synonyms: 2-[(1'-acetyl-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-7-yl)oxy]-N-(4-methoxybenzyl)acetamide
Smiles: COc1ccc(cc1)CNC(=O)COc1ccc2c(c1)OC1(CC2=O)CCN(CC1)C(=O)C

STK629965
Synonyms: (4E)-5-(furan-2-yl)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)c1nc2c(s1)cc(cc2)C)/O

STK629966
Synonyms: (4E)-1-[3-(diethylamino)propyl]-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-5-(pyridin-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccn1)CCCN(CC)CC)/O

STK629968
Synonyms: 2-[(4-oxo-3-phenyl-4H-chromen-7-yl)oxy]-N-[2-(thiophen-2-yl)ethyl]acetamide
Smiles: O=C(COc1ccc2c(c1)occ(c2=O)c1ccccc1)NCCc1cccs1

STK629969
Synonyms: N-(2-hydroxy-2-phenylethyl)-1-[(4-methoxyphenyl)sulfonyl]piperidine-3-carboxamide
Smiles: COc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NCC(c1ccccc1)O

STK629970
Synonyms: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: O=C1/C(=C/c2cc3c(o2)cccc3)/Oc2c1ccc(c2C[NH+]1CCOCC1)[O-]

STK629974
Synonyms: (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccccc1C1N(c2nc3c(s2)cc(cc3)CC)C(=O)C(=O)/C/1=C(\c1ccc(o1)C)/O

STK629977
Synonyms: N-{1-[(4-chlorobenzyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-hydroxyquinoxaline-1(2H)-carboxamide
Smiles: CSCCC(C(=O)NCc1ccc(cc1)Cl)NC(=O)N1CC(=Nc2c1cccc2)O

STK629978
Synonyms: 4-[({[4-(acetylamino)phenyl]sulfonyl}amino)methyl]-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC1CCC(CC1)C(=O)/N=c\1/scc([nH]1)C

STK629983
Synonyms: 4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethylhexyl)-5-imino-2,5-dihydro-1H-pyrrol-3-ol
Smiles: CCCCC(CN1CC(=C(C1=N)c1sc(c(n1)C)C)O)CC

STK629984
Synonyms: (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(o2)C)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/O

STK629985
Synonyms: 1-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]piperidin-4-one
Smiles: O=C1CCN(CC1)C(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2

STK629986
Synonyms: (5s,7s)-5,7-dimethyl-2-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Smiles: CCCC1N2C[C@]3(CN1C[C@@](C2)(C3=O)C)C

STK629989
Synonyms: N-(furan-2-ylmethyl)-2-[(4-oxo-3-phenyl-4H-chromen-7-yl)oxy]acetamide
Smiles: O=C(NCc1ccco1)COc1ccc2c(c1)occ(c2=O)c1ccccc1

STK629992
Synonyms: 5-amino-1-(4-fluorophenyl)-N-(2-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
Smiles: COc1ccccc1CNC(=O)c1nnn(c1N)c1ccc(cc1)F

STK629993
Synonyms: 1-(1-benzyl-5-fluoro-1H-indol-3-yl)propan-2-amine
Smiles: CC(Cc1cn(c2c1cc(F)cc2)Cc1ccccc1)N

STK629994
Synonyms: N-{(4E)-8-ethoxy-1,3-dimethyl-6-[4-(methylsulfanyl)phenyl]-4H-cyclohepta[c]furan-4-ylidene}-3,4-dimethoxyaniline
Smiles: CCOc1cc(c/c(=N\c2ccc(c(c2)OC)OC)/c2c1c(C)oc2C)c1ccc(cc1)SC

STK629995
Synonyms: 6-tert-butyl-2-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCc2c(F)cccc2Cl)nc(cc1C(F)(F)F)C(C)(C)C

STK629996
Synonyms: 4-decyl-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCCCCCCCCCc1c(C)[nH]n(c1=O)c1nc(C)cc(n1)C

STK629997
Synonyms: (2E)-7-[(diethylammonio)methyl]-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+](CC)CC)[O-])cn2C

STK630001
Synonyms: (5Z)-3-(1,3-benzodioxol-5-yl)-5-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: O=C1N=C(O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2Cl)/C(=O)N1c1ccc2c(c1)OCO2

STK630005
Synonyms: methyl4,5-dimethoxy-2-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Smiles: COC(=O)c1cc(OC)c(cc1N/C=C/1\C(=NN(C1=O)c1ccccc1)C)OC

STK630008
Synonyms: 1-cyclopropyl-5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccc(cc1)c1csc(n1)C1=C(O)CN(C1=N)C1CC1

STK630009
Synonyms: 2-[(4-methylphenyl)sulfonyl]-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)NCc1ccncc1

STK630010
Synonyms: 8-(butan-2-yl)-3-chloro-10-(phenylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: CCC(N1C(=O)C2C(C1=O)C(N1C2C=Cc2c1ccc(c2)Cl)C(=O)c1ccccc1)C

STK630011
Synonyms: 3-{3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropyl}-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one
Smiles: OCCN1CCN(CC1)C(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCC(=C)C

STK630013
Synonyms: N-[(2S)-4-(methylsulfanyl)-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide
Smiles: CSCC[C@@H](C(=O)Nc1cccnc1)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1

STK630015
Synonyms: N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(4-methyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)benzenesulfonamide
Smiles: COc1ccc(cc1S(=O)(=O)Nc1ccc(c(c1)Cl)F)N1C(=O)C(CS1(=O)=O)C

STK630016
Synonyms: 1-(2,4-dimethoxyphenyl)-5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1cc(OC)ccc1N1CC(=C(C1=N)c1scc(n1)c1ccccc1)O

STK630017
Synonyms: 5-(furan-2-yl)-N-hexyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
Smiles: CCCCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK630018
Synonyms: 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-1-phenyl-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1cc(ccc1OC)c1csc(n1)C1=C(O)CN(C1=N)c1ccccc1

STK630019
Synonyms: 2-[(2-methylpropyl)sulfanyl]-5,6,7,8-tetrahydroquinazolin-4-ol
Smiles: CC(CSc1nc(O)c2c(n1)CCCC2)C

STK630023
Synonyms: 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-1-(3,4,5-trimethoxybenzyl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccc(cc1OC)c1csc(n1)C1=C(O)CN(C1=N)Cc1cc(OC)c(c(c1)OC)OC

STK630024
Synonyms: 2-[4-(10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperazin-1-yl]ethanol
Smiles: OCCN1CCN(CC1)c1nc2sc3c(c2c2n1ncn2)CC(OC3)(C)C

STK630025
Synonyms: N-[3-({[4-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)phenyl]sulfonyl}amino)phenyl]acetamide
Smiles: CC(=O)Nc1cccc(c1)NS(=O)(=O)c1ccc(cc1)N1C(=O)C(CS1(=O)=O)(C)C

STK630026
Synonyms: (5Z)-1-(3-ethoxyphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1cccc(c1)N1C(=NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/C1=O)S

STK630027
Synonyms: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)/C(=C\1/C(c2cccs2)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)/O

STK630028
Synonyms: 2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide
Smiles: O=C(NCc1cccs1)COc1ccc2c(c1)c(=O)n1c(n2)CCCCC1

STK630029
Synonyms: 6-chloro-2-oxo-4-phenyl-8-{[(tetrahydrofuran-2-ylmethyl)ammonio]methyl}-2H-chromen-7-olate
Smiles: O=c1oc2c(C[NH2+]CC3CCCO3)c([O-])c(cc2c(c1)c1ccccc1)Cl

STK630032
Synonyms: N-{(5Z)-5-[(5-methoxy-1H-indol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pyridine-4-carboxamide
Smiles: COc1ccc2c(c1)c(c[nH]2)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccncc1

STK630033
Synonyms: trans-4-({[(4-chlorophenyl)sulfonyl]amino}methyl)-N-(2-{[2-(dimethylamino)ethyl]amino}-2-oxoethyl)cyclohexanecarboxamide
Smiles: CN(CCNC(=O)CNC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccc(cc1)Cl)C

STK630037
Synonyms: 2,6-dichloro-N-[(2Z)-4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2(3H)-ylidene]pyridine-3-carboxamide
Smiles: COc1ccc2c(c1)c(c1cs/c(=N\C(=O)c3ccc(nc3Cl)Cl)/[nH]1)c(n2C)C

STK630038
Synonyms: 6-amino-N'-[(E)-(2,4-dihydroxy-6-methylpyrimidin-5-yl)methylidene]hexanehydrazide
Smiles: NCCCCCC(=O)N/N=C/c1c(C)nc(nc1O)O

STK630039
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)CC)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/O

STK630041
Synonyms: (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(thiophen-2-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(c2ccccc2)/C(=C(/c2cccs2)\O)/C(=O)C1=O

STK630043
Synonyms: (5Z)-3-(2-fluorophenyl)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)c1ccc(o1)/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1F)O

STK630046
Synonyms: [1-(2-chloro-7H-purin-6-yl)piperidin-4-yl][4-(4-methoxyphenyl)piperazin-1-yl]methanone
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)c1nc(Cl)nc2c1[nH]cn2

STK630047
Synonyms: 1,3,9-trimethyl-7-(3-phenylpropyl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: CC1=NN(C)c2n(C1)c1c(=O)n(CCCc3ccccc3)c(=O)n(c1n2)C

STK630049
Synonyms: 6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-8-({[3-(morpholin-4-yl)propyl]ammonio}methyl)-2-oxo-2H-chromen-7-olate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2C[NH2+]CCCN1CCOCC1)[O-])Cl

STK630050
Synonyms: (2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)F)/C2=O)CC(C)C)C

STK630051
Synonyms: 3-(3-chlorophenyl)-1-methyl-1-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)urea
Smiles: Clc1cccc(c1)NC(=O)N(C1CCc2c(NC1=O)cccc2)C

STK630052
Synonyms: (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Smiles: CCOc1cc(/C=C\2/C(=NC(=O)N(C2=O)C)O)cc(c1O)[N+](=O)[O-]

STK630056
Synonyms: (2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](CC(C)C)CC(C)C)[O-])OC

STK630057
Synonyms: (4E)-5-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CCN(C)C)/O

STK630058
Synonyms: N-(3-bromophenyl)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Smiles: Brc1cccc(c1)NC(=O)c1nn(c2c1CCCC2)C1CCS(=O)(=O)C1

STK630059
Synonyms: (2Z)-7-{[butyl(methyl)ammonio]methyl}-2-(2,4-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1Cl)Cl)/C2=O)C

STK630061
Synonyms: 1-{[4-(acetylamino)phenyl]sulfonyl}-N-[(1S)-2-hydroxy-1-phenylethyl]piperidine-3-carboxamide
Smiles: OC[C@H](c1ccccc1)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)C

STK630063
Synonyms: (5Z)-4-methyl-1-[2-(morpholin-4-yl)ethyl]-2,6-dioxo-5-{[(4-phenoxyphenyl)amino]methylidene}-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/Nc2ccc(cc2)Oc2ccccc2)/C(=O)N(C1=O)CCN1CCOCC1

STK630064
Synonyms: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(NC1C=CS(=O)(=O)C1)COc1cc(O)c2c(c1)OC(CC2=O)(C)C

STK630068
Synonyms: N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide
Smiles: O=C(Nc1nccs1)CNC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1

STK630069
Synonyms: N-[3-(morpholin-4-yl)propyl]-1-(9H-purin-6-yl)piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)c1ncnc2c1nc[nH]2)NCCCN1CCOCC1

STK630070
Synonyms: 1-[(4-methoxyphenyl)sulfonyl]-N-(quinolin-5-yl)piperidine-3-carboxamide
Smiles: COc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)Nc1cccc2c1cccn2

STK630071
Synonyms: methyl4-[(3E)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Smiles: COc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)C(=O)OC)/C(=C(/c2ccc(c(c2)C)OC)\O)/C(=O)C1=O

STK630075
Synonyms: 8-(3-methoxypropyl)-3,5-dimethyl-10-(thiophen-2-ylcarbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: COCCCN1C(=O)C2C(C1=O)C(N1C2C=C(C)c2c1ccc(c2)C)C(=O)c1cccs1

STK630076
Synonyms: methyl(3-{(Z)-[1-(3-chlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-1-yl)acetate
Smiles: COC(=O)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=C(N(C1=O)c1cccc(c1)Cl)S

STK630077
Synonyms: 1-(3-chloro-4-methoxyphenyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccc(cc1Cl)N1CC(=C(C1=N)c1scc(n1)C)O

STK630078
Synonyms: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[3-(dimethylamino)propyl]-5-(3-fluorophenyl)pyrrolidine-2,3-dione
Smiles: CN(CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)F)C

STK630079
Synonyms: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(2,6-dimethylphenoxy)ethanone
Smiles: O=C(N1CCN(CC1)c1nsc2c1cccc2)COc1c(C)cccc1C

STK630080
Synonyms: ethyl2-(4-benzylpiperazin-1-yl)-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=NC1c1cc(OC)c(c(c1)OC)OC)N1CCN(CC1)Cc1ccccc1

STK630085
Synonyms: 4,4-dimethyl-2-{4-[(4-phenylpiperazin-1-yl)sulfonyl]phenyl}-1,2-thiazolidin-3-one1,1-dioxide
Smiles: O=C1N(c2ccc(cc2)S(=O)(=O)N2CCN(CC2)c2ccccc2)S(=O)(=O)CC1(C)C

STK630086
Synonyms: 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-N-(2-hydroxypropyl)acetamide
Smiles: CC(CNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1)O

STK630087
Synonyms: N-(2,4-dichlorobenzyl)-N'-[2-oxo-1-(propan-2-yl)-2,3-dihydro-1H-indol-3-yl]ethanediamide
Smiles: Clc1ccc(c(c1)Cl)CNC(=O)C(=O)NC1c2ccccc2N(C1=O)C(C)C

STK630088
Synonyms: (5E)-5-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)N=C(/C(=C\c2cc(n(c2C)c2ccc(c(c2)C)C)C)/C1=O)O

STK630089
Synonyms: 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenol
Smiles: CC1CCc2c(C1)c1c(s2)ncn2c1nnc2c1cccc(c1)O

STK630090
Synonyms: N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
Smiles: O=C(c1cc2c(o1)cccc2)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

STK630091
Synonyms: N-{3-(1H-benzimidazol-2-yl)-4,5-dimethyl-1-[3-(propan-2-yloxy)propyl]-1H-pyrrol-2-yl}thiophene-2-carboxamide
Smiles: CC(OCCCn1c(NC(=O)c2cccs2)c(c(c1C)C)c1nc2c([nH]1)cccc2)C

STK630092
Synonyms: trans-4-({[(4-chlorophenyl)sulfonyl]amino}methyl)-N-{2-oxo-2-[(pyridin-2-ylmethyl)amino]ethyl}cyclohexanecarboxamide
Smiles: O=C(NCc1ccccn1)CNC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccc(cc1)Cl

STK630093
Synonyms: 1-cyclopentyl-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-amine
Smiles: Cc1c(C)n(c(c1S(=O)(=O)c1ccccc1)N)C1CCCC1

STK630095
Synonyms: 8-[(benzylammonio)methyl]-6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-olate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2C[NH2+]Cc1ccccc1)[O-])Cl

STK630096
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Smiles: O=C(c1nn(c2c1CCCC2)C1CCS(=O)(=O)C1)Nc1ccc(cc1)C(C)C

STK630097
Synonyms: (4E)-5-(furan-2-yl)-1-(furan-2-ylmethyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)pyrrolidine-2,3-dione
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)Cc1ccco1)/O

STK630099
Synonyms: N,N-dimethyl-3-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-indole-1-sulfonamide
Smiles: O=C1Nc2c(/C/1=C/c1cn(c3c1cccc3)S(=O)(=O)N(C)C)cccc2

STK630100
Synonyms: ethyl4-{[(4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetyl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)COc1ccc2c(c1)OC1(CC2=O)CCCCC1

STK630101
Synonyms: 2-(2,3-dihydro-1H-indol-1-yl)-2-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
Smiles: O=C(C(=O)N1CCc2c1cccc2)NCc1c(C)nn(c1C)C

STK630102
Synonyms: N,3-dimethyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]butanamide
Smiles: CC(CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C)C

STK630103
Synonyms: (4E)-5-(3-chlorophenyl)-4-[hydroxy(4-propoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)c1noc(c1)C)/O

STK630104
Synonyms: (4E)-5-(4-tert-butylphenyl)-4-{hydroxy[2-methyl-4-(2-methylpropoxy)phenyl]methylidene}-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Smiles: COCCN1C(c2ccc(cc2)C(C)(C)C)/C(=C(/c2ccc(cc2C)OCC(C)C)\O)/C(=O)C1=O

STK630107
Synonyms: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)NCCc1c[nH]c2c1cc(F)cc2

STK630108
Synonyms: N-(2-hydroxyethyl)-N-methyl-1-{[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl}piperidine-3-carboxamide
Smiles: OCCN(C(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O)C

STK630110
Synonyms: 2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl

STK630112
Synonyms: N-[4-(4-methylpiperidin-1-yl)phenyl]-2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide
Smiles: CC1CCN(CC1)c1ccc(cc1)NC(=O)COc1ccc2c(c1)c(=O)n1c(n2)CCC1

STK630113
Synonyms: 4-hydroxy-8-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-1,6,7-trimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: COc1ccc(cc1)N1CCN(CC1)CCCn1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK630114
Synonyms: 4-(1H-indol-3-ylcarbonyl)-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]piperazine-1-carboxamide
Smiles: CC(NC(=O)[C@@H](NC(=O)N1CCN(CC1)C(=O)c1c[nH]c2c1cccc2)C)C

STK630118
Synonyms: (2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+]1CCCC(C1)C)[O-])cn2CC

STK630119
Synonyms: (4E)-5-(2,5-dimethoxyphenyl)-4-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1C1N(c2noc(c2)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OC(C)C)/O)OC

STK630120
Synonyms: N-(3-fluoro-4-methylphenyl)-3-[(4S)-1-(4-methoxybenzyl)-2,5-dioxoimidazolidin-4-yl]propanamide
Smiles: COc1ccc(cc1)CN1C(=O)N[C@H](C1=O)CCC(=O)Nc1ccc(c(c1)F)C

STK630121
Synonyms: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)C(=O)Nc1cc(OC)c(c(c1)OC)OC

STK630122
Synonyms: 4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5,7-diol
Smiles: COc1cc(ccc1OC)c1c2c(O)nc(nc2nc2c1c(C)nn2c1ccccc1)O

STK630123
Synonyms: N-[(2Z)-3-(3,4-dichlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: CC(=O)/N=C/1\SC2C(N1c1ccc(c(c1)Cl)Cl)CS(=O)(=O)C2

STK630126
Synonyms: 4-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
Smiles: O=C(c1sc(nc1C)c1ccccc1)NCc1cccnc1

STK630127
Synonyms: N-methyl-3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide
Smiles: O=C(N(CCc1ccccn1)C)CCc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2

STK630129
Synonyms: 2-[(2-methyl-4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
Smiles: O=C(Nc1ncc(s1)C)COc1ccc2c(c1)oc(c(c2=O)Oc1ccccc1)C

STK630130
Synonyms: 5-(pyridin-3-yl)-4-(pyridin-2-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1Cc1ccccn1)c1cccnc1

STK630132
Synonyms: 1-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccc(cc1)c1csc(n1)C1=C(O)CN(C1=N)/N=C/c1ccc(cc1Cl)Cl

STK630133
Synonyms: ethyl3-[(morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
Smiles: CCOC(=O)c1sc2c(c1NC(=O)CN1CCOCC1)cc1c(n2)CCCC1

STK630134
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-ethoxyphenyl)-1-[3-(morpholin-4-yl)propyl]pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1CCCN1CCOCC1

STK630135
Synonyms: (4E)-5-(4-bromophenyl)-4-[(3-chloro-4-methoxyphenyl)(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)c1noc(c1)C)/O

STK630137
Synonyms: (2Z)-2-(2,4-dichlorobenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Smiles: Clc1ccc(c(c1)Cl)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCC1)[O-]

STK630138
Synonyms: (2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1ccccc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](CC(C)C)CC(C)C)[O-]

STK630139
Synonyms: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide
Smiles: OCCN1CCN(CC1)C(=O)C(=O)Nc1cc(OC)c(c(c1)OC)OC

STK630140
Synonyms: 1-(2-chloro-7H-purin-6-yl)-N-(2,2-dimethoxyethyl)piperidine-3-carboxamide
Smiles: COC(CNC(=O)C1CCCN(C1)c1nc(Cl)nc2c1[nH]cn2)OC

STK630141
Synonyms: 1-(3,3-diphenylpropyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: Cc1csc(n1)C1=C(O)CN(C1=N)CCC(c1ccccc1)c1ccccc1

STK630144
Synonyms: 10-methyl-3-(thiophen-2-ylmethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)ncn2c1nnc2Cc1cccs1

STK630145
Synonyms: (3-{(Z)-[1-(4-bromo-3-methylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)aceticacid
Smiles: OC(=O)Cn1cc(c2c1cccc2)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(c(c1)C)Br)O

STK630146
Synonyms: 8-[4-(dimethylamino)phenyl]-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CN(c1ccc(cc1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)C)C

STK630147
Synonyms: 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COCCCN1CC(=C(C1=N)c1scc(n1)c1ccc(cc1)OC)O

STK630149
Synonyms: (2Z)-2-{[(4-methoxyphenyl)sulfonyl]imino}-N-(3-methylbutyl)-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c/1\sc2c([nH]1)ccc(c2)C(=O)NCCC(C)C

STK630152
Synonyms: N-(6-methoxyquinolin-8-yl)decanamide
Smiles: CCCCCCCCCC(=O)Nc1cc(OC)cc2c1nccc2

STK630153
Synonyms: 1,3,6,7-tetramethyl-8-{3-[2-(piperidin-1-yl)ethoxy]phenyl}-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: O=c1n(C)c2nc3n(c2c(=O)n1C)c(c(n3c1cccc(c1)OCCN1CCCCC1)C)C

STK630154
Synonyms: ethyl[3-(3-chlorophenyl)-5,5-dioxido-2-thioxohexahydro-1H-thieno[3,4-d]imidazol-1-yl]acetate
Smiles: CCOC(=O)CN1C2CS(=O)(=O)CC2N(C1=S)c1cccc(c1)Cl

STK630156
Synonyms: N-butyl-3,4,5-trimethoxy-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CCCCN(C(=O)c1cc(OC)c(c(c1)OC)OC)Cc1cc2cc(OC)ccc2[nH]c1=O

STK630157
Synonyms: 3-(4-fluorophenyl)-2-methyl-5-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Fc1ccc(cc1)c1c(C)nn2c1nc(CSc1nccc(n1)C)cc2O

STK630158
Synonyms: 6-amino-2-({[1-(3,4-dichlorophenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)pyrimidin-4-ol
Smiles: Nc1nc(SCc2nnnn2c2ccc(c(c2)Cl)Cl)nc(c1)O

STK630159
Synonyms: 1-[(4-fluorophenyl)sulfonyl]-N-{(2S)-1-oxo-1-[(2-phenylethyl)amino]propan-2-yl}piperidine-3-carboxamide
Smiles: O=C([C@@H](NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)F)C)NCCc1ccccc1

STK630161
Synonyms: 3-[(10aS)-7,8-dimethoxy-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(1,3-thiazol-2-yl)propanamide
Smiles: COc1cc2CN3C(=O)N(C(=O)[C@@H]3Cc2cc1OC)CCC(=O)Nc1nccs1

STK630162
Synonyms: 2-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
Smiles: COc1cccc(c1)N1CCN(CC1)C(=O)CNc1nc(Cl)nc2c1[nH]cn2

STK630163
Synonyms: methyl(2Z)-2-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)imino]-2,3-dihydro-1,3-benzothiazole-6-carboxylate
Smiles: COC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc3c(c1)OCCO3)/[nH]2

STK630164
Synonyms: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-ethoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1noc(c1)C

STK630166
Synonyms: N-(4-chlorobenzyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
Smiles: Clc1ccc(cc1)CNC(=O)C1CCCN(C1)C(=O)CCc1c[nH]c2c1cccc2

STK630168
Synonyms: (5Z)-1-(2-methylphenyl)-5-{[5-(pyrrolidin-1-yl)furan-2-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\c1ccc(o1)N1CCCC1)c1ccccc1C

STK630169
Synonyms: 3-tert-butyl-5-methyl-6-(2-oxo-2-{4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}ethyl)-7H-furo[3,2-g]chromen-7-one
Smiles: O=C(N1CCN(CC1)CCc1ccccn1)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C

STK630171
Synonyms: 2-{[2-(1H-indol-3-yl)ethyl]amino}-8-methyl-4-phenyl-4H-pyrimido[1,2-a][1,3,5]triazin-6-ol
Smiles: Cc1cc(O)n2c(=NC(=NC2c2ccccc2)NCCc2c[nH]c3c2cccc3)n1

STK630173
Synonyms: 2-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[3-(1H-imidazol-1-yl)propyl]-1,3-oxazol-5-amine
Smiles: Clc1cccc(c1)c1oc(c(n1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCCCn1ccnc1

STK630174
Synonyms: 1-(2,4-dichlorobenzyl)-4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-imino-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1cc(ccc1OC)c1csc(n1)C1=C(O)CN(C1=N)Cc1ccc(cc1Cl)Cl

STK630175
Synonyms: 1-(4-{[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonyl}phenyl)pyrrolidin-2-one
Smiles: O=C(C1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O)N1CCCCCC1

STK630177
Synonyms: trans-4-({[(4-fluorophenyl)sulfonyl]amino}methyl)-N-{2-[(2-methoxyethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
Smiles: COCCNC(=O)CNC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccc(cc1)F

STK630178
Synonyms: 2-amino-N'-[(8'E)-6'-ethyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-ylidene]-2-phenylacetohydrazide
Smiles: CCc1c/c(=N\NC(=O)C(c2ccccc2)N)/oc2c1cc1CCC3(Oc1c2)CCCCC3

STK630183
Synonyms: 4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-3-ol
Smiles: OC1=C(c2sc(c(n2)C)C)C(=N)N(C1)CCCN1CCOCC1

STK630184
Synonyms: (2E)-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+]1CCN(CC1)C)[O-])cn2C

STK630185
Synonyms: 3-(4-methoxyphenyl)-4-methyl-8-(morpholin-4-ium-4-ylmethyl)-2-oxo-2H-chromen-7-olate
Smiles: COc1ccc(cc1)c1c(=O)oc2c(c1C)ccc(c2C[NH+]1CCOCC1)[O-]

STK630187
Synonyms: (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(c2cccs2)/C(=C(/c2ccc(o2)C)\O)/C(=O)C1=O

STK630188
Synonyms: ethyl1-{[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetyl}piperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)C(=O)COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1

STK630189
Synonyms: 1-benzyl-2-hydroxy-5-(pyrimidin-2-ylamino)-5-(trifluoromethyl)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-4,6-dione
Smiles: Oc1nc(=O)c2c(n1Cc1ccccc1)NC(=O)C2(Nc1ncccn1)C(F)(F)F

STK630190
Synonyms: (4E)-5-(2,3-dimethoxyphenyl)-4-[hydroxy(4-propoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1OC)OC)c1noc(c1)C)/O

STK630191
Synonyms: methyl5-({[5-cyano-3,3-dimethyl-8-(piperazin-1-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}methyl)furan-2-carboxylate
Smiles: COC(=O)c1ccc(o1)CSc1nc(N2CCNCC2)c2c(c1C#N)CC(OC2)(C)C

STK630194
Synonyms: N-(2-fluorophenyl)-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)acetamide
Smiles: COc1cc2OC(C)(C)CCc2c2c1c(C)c(CC(=O)Nc1ccccc1F)c(=O)o2

STK630197
Synonyms: 2-methyl-N-{4-[(4-methylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}propanamide
Smiles: O=C(C(C)C)NC1CS(=O)(=O)CC1S(=O)(=O)c1ccc(cc1)C

STK630198
Synonyms: (2Z)-2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-one
Smiles: COc1cc(OC)cc(c1)C(=O)/C(=C\c1ccccc1[N+](=O)[O-])/c1nc2c(o1)cccc2

STK630199
Synonyms: methyl[7-(benzyloxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl]acetate
Smiles: COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccccc1

STK630202
Synonyms: N-(2-ethoxyphenyl)-3-(6-nitro-1H-benzimidazol-2-yl)propanamide
Smiles: CCOc1ccccc1NC(=O)CCc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]

STK630203
Synonyms: N-[1-butyl-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]pyridine-3-carboxamide
Smiles: CCCCN1C(=NC(C1=O)(NC(=O)c1cccnc1)C(F)(F)F)O

STK630206
Synonyms: (4E)-5-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(C)(C)C)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/O

STK630207
Synonyms: ethyl4-(4-chlorophenyl)-6-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=NC1c1ccc(cc1)Cl)N1CCN(CC1)c1ncccn1

STK630209
Synonyms: 1-{[4-(acetylamino)phenyl]sulfonyl}-N-{(2S)-1-[(furan-2-ylmethyl)amino]-1-oxopropan-2-yl}piperidine-4-carboxamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)NCc1ccco1)C

STK630211
Synonyms: N-{(2S)-1-[(4-methoxybenzyl)amino]-1-oxopropan-2-yl}-1-[(4-methoxyphenyl)sulfonyl]piperidine-3-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)[C@@H](NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)OC)C

STK630212
Synonyms: 6-chloro-N-(2-{1-methyl-5-[(3-phenylpropanoyl)amino]-1H-benzimidazol-2-yl}ethyl)pyridine-3-carboxamide
Smiles: O=C(Nc1ccc2c(c1)nc(n2C)CCNC(=O)c1ccc(nc1)Cl)CCc1ccccc1

STK630213
Synonyms: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide
Smiles: OC[C@H]([C@H](CC)C)NC(=O)Cc1csc(n1)c1ccc(c(c1)OC)OC

STK630215
Synonyms: 5-methyl-4-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1n[nH]c(=S)n1c1cccnc1

STK630216
Synonyms: methyl(2-phenyl-1,3-thiazol-4-yl)acetate
Smiles: COC(=O)Cc1csc(n1)c1ccccc1

STK630217
Synonyms: 2-chloro-6-oxo-4-[(propylammonio)methyl]-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-olate
Smiles: CCC[NH2+]Cc1c([O-])c(Cl)cc2c1oc(=O)c1c2CCCC1

STK630218
Synonyms: (2E)-N-(4-hydroxyphenyl)-2-[(methylsulfonyl)imino]-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: Oc1ccc(cc1)NC(=O)c1ccc2c(c1)s/c(=N/S(=O)(=O)C)/[nH]2

STK630219
Synonyms: 2-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)phenyl]-4,4-dimethyl-1,2-thiazolidin-3-one1,1-dioxide
Smiles: O=C1N(c2ccc(cc2)S(=O)(=O)N2CCc3c2cccc3)S(=O)(=O)CC1(C)C

STK630221
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[3-(2-ethoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamide
Smiles: CCOc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OCC(=O)Nc1ccc2c(c1)OCO2

STK630222
Synonyms: 1-(2,3-dimethoxybenzyl)-1-[3-(morpholin-4-yl)propyl]-3-[4-(propan-2-yl)phenyl]thiourea
Smiles: COc1cccc(c1OC)CN(C(=S)Nc1ccc(cc1)C(C)C)CCCN1CCOCC1

STK630224
Synonyms: 5-(2,5-difluorophenyl)-4-(quinolin-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccc(c(c1)c1n[nH]c(=S)n1c1cccc2c1cccn2)F

STK630227
Synonyms: N-[2-(piperidin-1-ylsulfonyl)ethyl]-N-(pyridin-4-ylmethyl)formamide
Smiles: O=CN(Cc1ccncc1)CCS(=O)(=O)N1CCCCC1

STK630228
Synonyms: (5Z)-5-{[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-4-hydroxy-1,3-thiazol-2(5H)-one
Smiles: O=C1N=C(/C(=C/c2cc(n(c2C)c2ccc(c(c2)[N+](=O)[O-])C)C)/S1)O

STK630231
Synonyms: 1-(4-bromophenyl)-N,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Smiles: Brc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1ccccc1)cc3c1ccccc1

STK630233
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: Cc1nn(c(c1)C)c1nc(NCCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)C

STK630235
Synonyms: 5-(3,4-dimethoxyphenyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: COc1cc(ccc1OC)c1cc(O)n2c(n1)nc(n2)c1ccccc1

STK630236
Synonyms: (3Z)-2-methyl-3-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-4H-1,2-benzothiazin-4-one1,1-dioxide
Smiles: COc1cc(/C=C\2/C(=O)c3ccccc3S(=O)(=O)N2C)cc(c1OC)OC

STK630237
Synonyms: 1'-acetyl-7-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}spiro[chromene-2,4'-piperidin]-4(3H)-one
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2c(c1)OC1(CC2=O)CCN(CC1)C(=O)C

STK630238
Synonyms: N-(1,3-benzodioxol-5-yl)-1-(2-chloro-7H-purin-6-yl)piperidine-3-carboxamide
Smiles: O=C(C1CCCN(C1)c1nc(Cl)nc2c1[nH]cn2)Nc1ccc2c(c1)OCO2

STK630239
Synonyms: (5Z)-5-[2-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Brc1ccc(cc1)C1C/C(=C/2\C(=O)N=C(N(C2=O)C)S)/Nc2c(S1)cccc2

STK630241
Synonyms: 2-tert-butyl-8,9-dimethyl-7-[3-(morpholin-4-yl)propyl]-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC(c1nc2n(n1)cnc1c2c(C)c(n1CCCN1CCOCC1)C)(C)C

STK630243
Synonyms: (4E)-1-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-5-(pyridin-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccn1)CCN(CC)CC)/O

STK630244
Synonyms: (2E)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+]1CC(C)CC(C1)C)[O-])cn2C

STK630246
Synonyms: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide
Smiles: COc1cc(ccc1OC)c1scc(n1)CC(=O)NCCc1c[nH]c2c1cc(F)cc2

STK630250
Synonyms: 2-(4-bromophenyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ol
Smiles: Brc1ccc(cc1)c1nn2c(n1)c1c(nc2O)sc2c1CC(C)(C)OC2

STK630251
Synonyms: 3-(3,4-dimethoxybenzyl)-6-[5-(2-methylpropyl)-1H-pyrazol-3-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1ccc(cc1OC)Cc1nnc2n1nc(s2)c1n[nH]c(c1)CC(C)C

STK630252
Synonyms: 1-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-3-phenyl-1-propan-2-ylurea
Smiles: O=c1cc(CN(C(=O)Nc2ccccc2)C(C)C)c2c([nH]1)cccc2

STK630254
Synonyms: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-7-(piperidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Smiles: Brc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+]2CCCCC2)[O-])c2c(c1)COCO2

STK630256
Synonyms: 2-[3-(4-chlorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-N-[3-(1H-imidazol-1-yl)propyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)Cl)NCCCn1cncc1

STK630257
Synonyms: 5-(4-chlorobenzyl)-4-(quinolin-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(cc1)Cc1n[nH]c(=S)n1c1cccc2c1cccn2

STK630259
Synonyms: 3-(3,4-dimethoxyphenyl)-9-(pyridin-2-ylmethyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: COc1cc(ccc1OC)c1cc2ccc3c(c2oc1=O)CN(CO3)Cc1ccccn1

STK630260
Synonyms: 9-bromo-6-[2-(phenylsulfonyl)ethyl]-6H-indolo[2,3-b]quinoxaline
Smiles: Brc1ccc2c(c1)c1nc3ccccc3nc1n2CCS(=O)(=O)c1ccccc1

STK630261
Synonyms: 4-(5-hydroxy-3,7,7-trimethyl-4,6,7,8-tetrahydro[1,2]oxazolo[5,4-b]quinolin-4-yl)benzene-1,2-diol
Smiles: OC1=C2C(=Nc3c(C2c2ccc(c(c2)O)O)c(C)no3)CC(C1)(C)C

STK630265
Synonyms: 6-[2-(1,3-dioxolan-2-yl)ethyl]-9-fluoro-6H-indolo[2,3-b]quinoxaline
Smiles: Fc1ccc2c(c1)c1nc3ccccc3nc1n2CCC1OCCO1

STK630266
Synonyms: 8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one
Smiles: COc1ccccc1c1coc2c(c1=O)ccc(c2CN(C1CCCCC1)C)O

STK630267
Synonyms: 2-{2-[(methylsulfonyl)amino]-1,3-thiazol-4-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Smiles: O=C(Cc1csc(n1)NS(=O)(=O)C)Nc1ccc(cc1)OC(F)(F)F

STK630270
Synonyms: N-{2-[(3-hydroxyphenyl)amino]-2-oxoethyl}-1-(phenylsulfonyl)piperidine-3-carboxamide
Smiles: O=C(Nc1cccc(c1)O)CNC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1

STK630272
Synonyms: 5-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethoxy}-3,4,7-trimethyl-2H-chromen-2-one
Smiles: OCCN1CCN(CC1)C(=O)COc1cc(C)cc2c1c(C)c(c(=O)o2)C

STK630274
Synonyms: (2Z)-8-(4-fluorophenyl)-2-(pyridin-4-ylmethylidene)-8,9-dihydro-7H-furo[2,3-f][1,3]benzoxazin-3(2H)-one
Smiles: Fc1ccc(cc1)N1COc2c(C1)c1O/C(=C\c3ccncc3)/C(=O)c1cc2

STK630275
Synonyms: N-(3,4-dimethoxyphenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamide
Smiles: COc1cc(ccc1OC)NC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)O

STK630276
Synonyms: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)propanamide
Smiles: O=C(NC1CCS(=O)(=O)C1)CCSc1nc(Cl)nc2c1[nH]cn2

STK630278
Synonyms: N-{2-[(4-acetylphenyl)amino]-2-oxoethyl}-1-(phenylsulfonyl)piperidine-3-carboxamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CNC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1

STK630280
Synonyms: ethyl3-{[(6-oxo-1-phenyl-1,4,5,6-tetrahydropyridazin-3-yl)carbonyl]amino}benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)C1=NN(C(=O)CC1)c1ccccc1

STK630282
Synonyms: N-[(2Z)-5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: CCOc1cccc(c1)c1n[nH]/c(=N/C(=O)C2CCCCC2)/s1

STK630289
Synonyms: methyl2-[(3E)-3-[(4-fluorophenyl)(hydroxy)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)F)/O)/C1c1ccc(cc1)C

STK630291
Synonyms: 1'-acetyl-7-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethoxy]spiro[chromene-2,4'-piperidin]-4(3H)-one
Smiles: O=C(N1CCC2(CC1)OCCO2)COc1ccc2c(c1)OC1(CC2=O)CCN(CC1)C(=O)C

STK630292
Synonyms: trans-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-({[(4-fluorophenyl)sulfonyl]amino}methyl)cyclohexanecarboxamide
Smiles: Fc1ccc(cc1)S(=O)(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@H](C(=O)NC1CCCC1)C

STK630296
Synonyms: 7-(4-bromobenzyl)-3,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: Brc1ccc(cc1)Cn1c(=O)c2n3CC(=NNc3nc2n(c1=O)C)C

STK630297
Synonyms: N-(3-fluorophenyl)-3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
Smiles: O=C(Nc1cccc(c1)F)CC[C@@H]1NC(=O)N(C1=O)Cc1ccco1

STK630298
Synonyms: 2-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-1H-benzimidazole
Smiles: FC(c1cccc(c1)c1noc(n1)CCc1nc2c([nH]1)cccc2)(F)F

STK630299
Synonyms: (4E)-1-[3-(dimethylamino)propyl]-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)C1/C(=C(/c2ccc(o2)C)\O)/C(=O)C(=O)N1CCCN(C)C

STK630302
Synonyms: 2-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)-N-(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1c1ccccc1)C)NC1CS(=O)(=O)CC1O

STK630303
Synonyms: (2E)-2-[(phenylsulfonyl)imino]-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: O=C(c1ccc2c(c1)s/c(=N/S(=O)(=O)c1ccccc1)/[nH]2)Nc1ccc(cc1)Cn1cncn1

STK630306
Synonyms: 10-(2,2-dimethylpropanoyl)-5-methyl-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1NC(=O)C2C1C1C=C(C)c3c(N1C2C(=O)C(C)(C)C)cccc3

STK630307
Synonyms: 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methoxy-4,8,8-trimethyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-2-one
Smiles: COc1cc2OC(C)(C)CCc2c2c1c(C)c(CC(=O)N1CCN(CC1)C(=O)C)c(=O)o2

STK630310
Synonyms: methyl{[5-(methylsulfanyl)-7,8,9,10-tetrahydro[1]benzothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nnc2n1c(SC)nc1c2sc2c1CCCC2

STK630311
Synonyms: 10-[(4-nitrophenyl)carbonyl]-8-(tetrahydrofuran-2-ylmethyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C(C1C2C(=O)N(C(=O)C2C2N1c1ccccc1C=C2)CC1CCCO1)c1ccc(cc1)[N+](=O)[O-]

STK630314
Synonyms: N-[(5Z)-4-oxo-5-(quinolin-4-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide
Smiles: O=C(c1cccnc1)NN1C(=S)S/C(=C\c2ccnc3c2cccc3)/C1=O

STK630315
Synonyms: (5Z)-5-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-ylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccccc1C1C/C(=C/2\C(=O)N=C(N(C2=O)C)S)/Nc2c(S1)cccc2

STK630318
Synonyms: N-(4-ethoxyphenyl)-2-methoxy-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]acetamide
Smiles: COCC(=O)N(c1ccc(cc1)OCC)Cc1cc2cc(OC)ccc2[nH]c1=O

STK630320
Synonyms: N-(3,4-dimethoxybenzyl)-4-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)benzenesulfonamide
Smiles: COc1cc(ccc1OC)CNS(=O)(=O)c1ccc(cc1)N1C(=O)C(CS1(=O)=O)(C)C

STK630324
Synonyms: 8-[(2,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-7-hydroxy-4-methyl-2H-benzo[h]chromen-2-one
Smiles: COc1cc(OC)ccc1C(c1ccc2c(c1O)ccc1c2oc(=O)cc1C)N1CCOCC1

STK630325
Synonyms: N-(3-hydroxyphenyl)-2-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)O)CSc1nnc([nH]1)c1cccnc1

STK630326
Synonyms: {1-[(4-fluorophenyl)sulfonyl]piperidin-3-yl}[4-(pyridin-2-yl)piperazin-1-yl]methanone
Smiles: Fc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccn1

STK630327
Synonyms: (5E)-3-(4-bromophenyl)-6-hydroxy-5-(4-hydroxy-3-methoxybenzylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(ccc1O)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Br)O

STK630329
Synonyms: 1-(2,3,9-trimethyl-6H-indolo[2,3-b]quinoxalin-6-yl)ethanone
Smiles: Cc1ccc2c(c1)c1nc3cc(C)c(cc3nc1n2C(=O)C)C

STK630334
Synonyms: 7,7-dimethyl-1-[3-(morpholin-4-yl)propyl]-2-phenyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
Smiles: S=c1nc(c2ccccc2)n(c2c1COC(C2)(C)C)CCCN1CCOCC1

STK630338
Synonyms: 4-{[(1-benzylpiperidin-4-yl)ammonio]methyl}-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-olate
Smiles: [O-]c1ccc2c(c1C[NH2+]C1CCN(CC1)Cc1ccccc1)oc(=O)c1c2CCCC1

STK630340
Synonyms: [7-(4-chlorobenzyl)-3,9-dimethyl-6,8-dioxo-6,7,8,9-tetrahydro[1,2,4]triazino[3,4-f]purin-1(4H)-yl]aceticacid
Smiles: OC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)Cl

STK630341
Synonyms: 5-methoxy-2-(piperidin-1-ylmethyl)naphthalen-1-ol
Smiles: COc1cccc2c1ccc(c2O)CN1CCCCC1

STK630342
Synonyms: 2-[(1'-acetyl-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-7-yl)oxy]-N-(3,5-dichlorophenyl)acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)COc1ccc2c(c1)OC1(CC2=O)CCN(CC1)C(=O)C

STK630343
Synonyms: methyl4-({[1-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]carbonyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)c1nn(c2c1CCCC2)C1CCS(=O)(=O)C1

STK630344
Synonyms: 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1c(SCc2c(F)cccc2Cl)nc2c(c1C(F)(F)F)CCCC2

STK630345
Synonyms: 5-imino-1-(2-methoxyethyl)-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COCCN1CC(=C(C1=N)c1scc(n1)c1ccc(cc1)OC)O

STK630346
Synonyms: N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-2-[(4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetamide
Smiles: O=C(NC1C=CS(=O)(=O)C1)COc1ccc2c(c1)OC1(CC2=O)CCCCC1

STK630351
Synonyms: 10-methyl-3-(pyridin-4-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)ncn2c1nnc2c1ccncc1

STK630354
Synonyms: 3-(furan-2-ylmethyl)-4-imino-1,6,6-trimethyl-1,3,4,5,6,8-hexahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-one
Smiles: Cn1c(=O)n(Cc2ccco2)c(=N)c2c1sc1c2CC(OC1)(C)C

STK630356
Synonyms: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-{[oxo(pyrrolidin-1-yl)acetyl]amino}benzamide
Smiles: Clc1ccc2c(c1)c(CCNC(=O)c1ccccc1NC(=O)C(=O)N1CCCC1)c[nH]2

STK630358
Synonyms: 4-[2-(benzyloxy)phenyl]-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: OC1=Nc2c(C(C1)c1ccccc1OCc1ccccc1)c(nn2c1nc(C)cc(n1)C)C

STK630359
Synonyms: 1-(azepan-1-yl)-3-[1-(azepan-1-ylmethyl)-1H-indol-3-yl]propan-1-one
Smiles: O=C(N1CCCCCC1)CCc1cn(c2c1cccc2)CN1CCCCCC1

STK630360
Synonyms: (2E)-2-cyano-2-[(5E)-5-(2-methoxybenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-phenylethanamide
Smiles: COc1ccccc1/C=c\1/s/c(=C(/C(=O)Nc2ccccc2)\C#N)/n(c1=O)c1ccccc1

STK630361
Synonyms: N-{(5Z)-5-[(8-methoxyquinolin-2-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pyridine-4-carboxamide
Smiles: COc1cccc2c1nc(cc2)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccncc1

STK630362
Synonyms: N-[4-({[4-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methylphenyl]sulfonyl}amino)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)NS(=O)(=O)c1ccc(cc1C)N1C(=O)C(CS1(=O)=O)(C)C

STK630365
Synonyms: (5Z)-5-{[(4-hydroxy-2-methylphenyl)amino]methylidene}-4-methyl-1-(2-methylpropyl)-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/Nc2ccc(cc2C)O)/C(=O)N(C1=O)CC(C)C

STK630366
Synonyms: (3S,3a'R,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@]1(C(=O)Nc3c1cccc3)N1C2CCC1

STK630367
Synonyms: 2-{(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}-N-(1H-indol-5-yl)acetamide
Smiles: O=C(CC1=C(C)/C(=C\c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2)Nc1ccc2c(c1)cc[nH]2

STK630369
Synonyms: 2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
Smiles: COc1cc(NC(=O)Cc2c(=O)oc3c(c2C)cc(c(c3)O)Cl)cc(c1OC)OC

STK630370
Synonyms: 3-methyl-4-oxo-2-phenyl-N-(pyridin-3-ylmethyl)-4H-chromene-8-carboxamide
Smiles: O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)NCc1cccnc1

STK630371
Synonyms: 1-(5-nitropyridin-2-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
Smiles: O=C(C1CCN(CC1)c1ccc(cn1)[N+](=O)[O-])NCc1ccncc1

STK630373
Synonyms: (3E)-2-(3-phenylpropyl)-3-(pyridin-2-ylmethylidene)-2,3-dihydro-4H-1,2-benzothiazin-4-one1,1-dioxide
Smiles: O=C1/C(=C\c2ccccn2)/N(CCCc2ccccc2)S(=O)(=O)c2c1cccc2

STK630375
Synonyms: 8-({[2-(4-chlorophenyl)ethyl]amino}methyl)-7-hydroxy-3,4-dimethyl-2H-chromen-2-one
Smiles: Clc1ccc(cc1)CCNCc1c(O)ccc2c1oc(=O)c(c2C)C

STK630376
Synonyms: (4E)-5-(1,3-benzodioxol-5-yl)-4-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}-1-(pyridin-2-yl)pyrrolidine-2,3-dione
Smiles: CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc2c(c1)OCO2)c1ccccn1)/O)C

STK630377
Synonyms: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-[2-(pyridin-2-yl)ethyl]thiourea
Smiles: CN(C(=S)Nc1cc(ccc1Cl)C(F)(F)F)CCc1ccccn1

STK630380
Synonyms: N-{2-oxo-2-[(thiophen-2-ylmethyl)amino]ethyl}-1-(phenylsulfonyl)piperidine-3-carboxamide
Smiles: O=C(NCc1cccs1)CNC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1

STK630382
Synonyms: 6-chloro-N-[2-(5-{[(2-chlorophenyl)carbonyl]amino}-1-methyl-1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
Smiles: Clc1ccc(cn1)C(=O)NCCc1nc2c(n1C)ccc(c2)NC(=O)c1ccccc1Cl

STK630384
Synonyms: N-[2-(4-chlorophenyl)ethyl]-2-{(2Z)-2-[(methylsulfonyl)imino]-2,3-dihydro-1,3-thiazol-4-yl}acetamide
Smiles: O=C(Cc1cs/c(=N\S(=O)(=O)C)/[nH]1)NCCc1ccc(cc1)Cl

STK630388
Synonyms: 1-cyclohexyl-3-(1-ethyl-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1H-benzimidazol-5-yl)urea
Smiles: CCn1c(CSc2nccc(n2)C)nc2c1ccc(c2)NC(=O)NC1CCCCC1

STK630389
Synonyms: N-[3-(butylamino)-3-oxopropyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Smiles: CCCCNC(=O)CCNC(=O)N1CCc2c(C1)cc(c(c2)OC)OC

STK630390
Synonyms: 3-methoxy-N-[(2E)-4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2(3H)-ylidene]benzamide
Smiles: COc1cccc(c1)C(=O)/N=c\1/scc([nH]1)c1c(C)[nH]c2c1cc(OC)cc2

STK630392
Synonyms: methyl5-fluoro-3-{(E)-[3-(morpholin-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/C=C\1/SC(=S)N(C1=O)N1CCOCC1)cc(cc2)F

STK630396
Synonyms: (2Z)-2-(biphenyl-4-ylmethylidene)-7-[(dimethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)c1ccccc1)/C2=O)C

STK630398
Synonyms: 3-(2-bromophenyl)-6-(3-chloro-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Brc1ccccc1c1nnc2n1nc(s2)c1ccc(c(c1)Cl)F

STK630399
Synonyms: 4-(2,4-dimethoxyphenyl)-5-methyl-N-{(4E)-2-[4-(methylsulfanyl)phenyl]-4H-chromen-4-ylidene}-1,3-thiazol-2-amine
Smiles: COc1ccc(c(c1)OC)c1nc(sc1C)/N=c/1\cc(oc2c1cccc2)c1ccc(cc1)SC

STK630402
Synonyms: 3-[2-(4-chlorophenyl)-5,6-diphenyl-1H-imidazo[1,2-a]imidazol-1-yl]phenol
Smiles: Oc1cccc(c1)n1c(cn2c1nc(c2c1ccccc1)c1ccccc1)c1ccc(cc1)Cl

STK630405
Synonyms: 2-{[1-(4-fluorophenyl)-1H-tetrazol-5-yl]methyl}-1H-isoindole-1,3(2H)-dione
Smiles: Fc1ccc(cc1)n1nnnc1CN1C(=O)c2c(C1=O)cccc2

STK630407
Synonyms: 1-(1H-indol-2-ylcarbonyl)-N-(pyridin-3-yl)piperidine-3-carboxamide
Smiles: O=C(C1CCCN(C1)C(=O)c1cc2c([nH]1)cccc2)Nc1cccnc1

STK630409
Synonyms: N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-N'-(pyridin-3-ylmethyl)ethanediamide
Smiles: Clc1ccc(c(c1)Cl)Cn1ncc(c1)NC(=O)C(=O)NCc1cccnc1

STK630410
Synonyms: (2E)-7-[(dipropylammonio)methyl]-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCC[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cccc3)C)/C2=O)CCC

STK630411
Synonyms: 2-({3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(Nc2nc3ccccc3nc2N2CCN(CC2)c2ccc(cc2)F)sc2c1CCCC2

STK630414
Synonyms: 3-ethyl-1-[2-(morpholin-4-yl)ethyl]-1-(naphthalen-1-ylmethyl)thiourea
Smiles: CCNC(=S)N(Cc1cccc2c1cccc2)CCN1CCOCC1

STK630415
Synonyms: (2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-(2,4-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1Cl)Cl)/C2=O)CC(C)C)C

STK630416
Synonyms: 1-(9H-purin-6-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
Smiles: COc1cc(NC(=O)C2CCN(CC2)c2ncnc3c2nc[nH]3)cc(c1OC)OC

STK630419
Synonyms: 2-(4-hydroxyphthalazin-1-yl)-N-[3-(1H-imidazol-1-yl)propyl]acetamide
Smiles: O=C(Cc1nnc(c2c1cccc2)O)NCCCn1cncc1

STK630420
Synonyms: 7-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-3-(4-methoxyphenoxy)-2-methyl-4H-chromen-4-one
Smiles: CCN1CCN(CC1)C(=O)COc1ccc2c(c1)oc(c(c2=O)Oc1ccc(cc1)OC)C

STK630421
Synonyms: 3-[(4S)-1-(4-methoxybenzyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylpropanamide
Smiles: COc1ccc(cc1)CN1C(=O)N[C@H](C1=O)CCC(=O)Nc1ccccc1

STK630422
Synonyms: 1-(3,4-dimethoxybenzyl)-2-[(3-phenylpropyl)sulfanyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole5,5-dioxide
Smiles: COc1ccc(cc1OC)CN1C(=NC2C1CS(=O)(=O)C2)SCCCc1ccccc1

STK630424
Synonyms: N-{(2S)-1-[(2-fluorophenyl)amino]-1-oxopropan-2-yl}-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxamide
Smiles: COc1cc2c(cc1OC)CCN(C2c1ccccc1)C(=O)N[C@H](C(=O)Nc1ccccc1F)C

STK630425
Synonyms: N-[2-(4-chlorophenyl)ethyl]-2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide
Smiles: O=C(COc1ccc2c(c1)c(=O)n1c(n2)CCC1)NCCc1ccc(cc1)Cl

STK630429
Synonyms: 1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Smiles: O=C(c1nn(c2c1CCCC2)C1CCS(=O)(=O)C1)Nc1cccc(c1)C(F)(F)F

STK630435
Synonyms: N-[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)/N=C\1/SC2C(N1Cc1ccc3c(c1)OCO3)CS(=O)(=O)C2

STK630437
Synonyms: (5E)-6-hydroxy-5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(ccc1c1ccc(o1)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)[N+](=O)[O-]

STK630439
Synonyms: (2Z)-2-(5-bromo-2-methoxybenzylidene)-7-{[butyl(methyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(Br)ccc1OC)/C2=O)C

STK630440
Synonyms: (4E)-1-[2-(diethylamino)ethyl]-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
Smiles: CCN(CCN1C(c2cccc(c2)O)/C(=C(/c2ccc(cc2)OCc2cccc(c2)C)\O)/C(=O)C1=O)CC

STK630441
Synonyms: 3-[4-(3-phenoxypropyl)piperazin-1-yl]-1,2-benzothiazole
Smiles: c1ccc(cc1)OCCCN1CCN(CC1)c1nsc2c1cccc2

STK630443
Synonyms: (2E)-N-(4-hydroxyphenyl)-2-[(phenylsulfonyl)imino]-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: Oc1ccc(cc1)NC(=O)c1ccc2c(c1)s/c(=N/S(=O)(=O)c1ccccc1)/[nH]2

STK630447
Synonyms: N-[2-(dimethylamino)ethyl]-2-[(5E)-5-(2-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Smiles: COc1ccccc1/C=C\1/SC(=O)N(C1=O)CC(=O)NCCN(C)C

STK630449
Synonyms: 7-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethoxy]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
Smiles: O=C(N1CCC2(CC1)OCCO2)COc1ccc2c(c1)c(=O)n1c(n2)CCC1

STK630454
Synonyms: (5Z)-3-(4-chlorophenyl)-5-(quinoxalin-5-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Clc1ccc(cc1)N1C(=S)S/C(=C\c2cccc3c2nccn3)/C1=O

STK630455
Synonyms: (2E)-2-{[(4-chlorophenyl)sulfonyl]imino}-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: Clc1ccc(cc1)S(=O)(=O)/N=c\1/sc2c([nH]1)ccc(c2)C(=O)Nc1ncc(s1)C

STK630456
Synonyms: methyl(3-{(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-1-yl)acetate
Smiles: COC(=O)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=C(N(C1=O)c1ccccc1C)S

STK630458
Synonyms: N-(1-ethyl-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1H-benzimidazol-5-yl)thiophene-2-carboxamide
Smiles: CCn1c(CSc2nccc(n2)C)nc2c1ccc(c2)NC(=O)c1cccs1

STK630459
Synonyms: methylN-{[4-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl}leucinate
Smiles: COC(=O)C(NC(=O)N1CCC(CC1)c1nc2c([nH]1)cccc2)CC(C)C

STK630463
Synonyms: 5-imino-4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(thiophen-2-yl)ethyl]-2,5-dihydro-1H-pyrrol-3-ol
Smiles: Cc1csc(n1)C1=C(O)CN(C1=N)CCc1cccs1

STK630464
Synonyms: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)c1sc2c(n1)c(C)cc(c2)C)/O

STK630466
Synonyms: 3-phenyl-9-(pyridin-3-ylmethyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: O=c1oc2c(cc1c1ccccc1)ccc1c2CN(CO1)Cc1cccnc1

STK630467
Synonyms: 3-(4-methoxybenzyl)-2-(4-nitrophenyl)-2,3-dihydroquinazolin-4(1H)-one
Smiles: COc1ccc(cc1)CN1C(Nc2c(C1=O)cccc2)c1ccc(cc1)[N+](=O)[O-]

STK630468
Synonyms: 3,3,6,7-tetramethyl-N-[4-(propan-2-yl)phenyl]-3,4-dihydroisoquinolin-1-amine
Smiles: CC(c1ccc(cc1)NC1=NC(C)(C)Cc2c1cc(C)c(c2)C)C

STK630474
Synonyms: 5-methoxy-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-2-phenyl-4H-chromen-7-olate
Smiles: COc1cc([O-])c(c2c1c(=O)cc(o2)c1ccccc1)C[NH+]1CCCC(C1)C

STK630476
Synonyms: 1-{[3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]carbonyl}-L-proline
Smiles: OC(=O)[C@@H]1CCCN1C(=O)c1sc2c(c1N)c(cc(n2)c1ccc(cc1)F)c1ccccc1

STK630477
Synonyms: (2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CC1CCC[NH+](C1)Cc1c([O-])cc(c2c1O/C(=C\c1cc3c(o1)cccc3)/C2=O)C

STK630478
Synonyms: 2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-7-yl)oxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Smiles: O=C(COc1ccc2c(c1)c(=O)n1c(n2)CCC1)NCCc1ccc(cc1)S(=O)(=O)N

STK630479
Synonyms: methyl2-({[4-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methylphenyl]sulfonyl}amino)benzoate
Smiles: COC(=O)c1ccccc1NS(=O)(=O)c1ccc(cc1C)N1C(=O)C(CS1(=O)=O)(C)C

STK630480
Synonyms: 7-hydroxy-8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-2H-chromen-2-one
Smiles: CN1CCN(CC1)Cc1cc2c(cc(=O)oc2c(c1O)C)c1ccccc1

STK630481
Synonyms: N-(3-chloro-4-fluorophenyl)-3-[(4S)-1-(4-methoxybenzyl)-2,5-dioxoimidazolidin-4-yl]propanamide
Smiles: COc1ccc(cc1)CN1C(=O)N[C@H](C1=O)CCC(=O)Nc1ccc(c(c1)Cl)F

STK630487
Synonyms: (4E)-4-[(4-butoxy-2-methylphenyl)(hydroxy)methylidene]-5-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Smiles: CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1)Cc1cccnc1)/O

STK630488
Synonyms: (4E)-5-(4-chlorophenyl)-4-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Cl)c1noc(c1)C)/O

STK630489
Synonyms: 2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}-N-(1,3-thiazol-2-yl)acetamide
Smiles: COc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OCC(=O)Nc1nccs1

STK630490
Synonyms: (5E)-3-(3-hydroxyphenyl)-5-[(8-methoxyquinolin-2-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cccc2c1nc(cc2)/C=C\1/SC(=S)N(C1=O)c1cccc(c1)O

STK630491
Synonyms: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1n[nH]c(=S)n1Cc1ccc2c(c1)OCO2

STK630494
Synonyms: 2-{[3-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl]oxy}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)COc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Cl

STK630495
Synonyms: 3,4-dimethoxy-N-[(2E)-4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccc2c(c1)c(c1cs/c(=N/C(=O)c3ccc(c(c3)OC)OC)/[nH]1)c([nH]2)C

STK630497
Synonyms: (2Z)-2-benzylidene-7-[(dimethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccccc1)/C2=O)C

STK630498
Synonyms: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide
Smiles: O=C(C1CCCN(C1)S(=O)(=O)c1ccccc1)NCCc1c[nH]c2c1cc(Cl)cc2

STK630499
Synonyms: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](1H-indol-5-yl)methanone
Smiles: O=C(c1ccc2c(c1)cc[nH]2)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK630501
Synonyms: (3aS,6R)-N-(2-chlorobenzyl)-2-(furan-2-ylmethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: O=C(C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)Cc1ccco1)O2)NCc1ccccc1Cl

STK630502
Synonyms: N-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Smiles: CN1CCN(CC1)C1(CCCCC1)CNC(=O)c1ccc2c(c1)sc(n2)n1cccc1

STK630504
Synonyms: (4E)-2-(3-chlorophenyl)-4-[({[1-(dimethylamino)cyclohexyl]methyl}amino)methylidene]isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1cccc(c1)N1C(=O)/C(=C/NCC2(CCCCC2)N(C)C)/c2c(C1=O)cccc2

STK630505
Synonyms: 1-cyclopropyl-6,7-difluoro-3-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl}-8-methoxyquinolin-4(1H)-one
Smiles: COc1c(F)c(F)cc2c1n(cc(c2=O)C(=O)N1CCN(CC1)C(=O)c1ccco1)C1CC1

STK630507
Synonyms: (4E)-4-{[(4-butylphenyl)amino]methylidene}-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCCCc1ccc(cc1)N/C=C/1\C(=NN(C1=O)C1CCS(=O)(=O)C1)C

STK630508
Synonyms: N-[2-(dimethylamino)ethyl]-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Smiles: CN(CCNC(=O)CN1C(=O)S/C(=C\c2ccco2)/C1=O)C

STK630511
Synonyms: (4E)-4-[hydroxy(phenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1noc(c1)C

STK630514
Synonyms: (4E)-1-(furan-2-ylmethyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-5-(pyridin-3-yl)pyrrolidine-2,3-dione
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)Cc1ccco1)/O

STK630516
Synonyms: 3-cyclohexyl-N-[4-hydroxy-1-(3-methoxyphenyl)-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]propanamide
Smiles: COc1cccc(c1)n1c(=O)nc(c2c1NC(=O)C2(NC(=O)CCC1CCCCC1)C(F)(F)F)O

STK630517
Synonyms: 6-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccc(c(c1)Cl)F

STK630518
Synonyms: (4E)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Smiles: COc1ccc(c(c1)C1/C(=C(/c2ccc(o2)C)\O)/C(=O)C(=O)N1c1noc(c1)C)OC

STK630519
Synonyms: 5-ethyl-7-(morpholin-4-ylcarbonyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one
Smiles: CCn1cc(C(=O)N2CCOCC2)c(=O)c2c1cc1OCOc1c2

STK630520
Synonyms: N-[(2Z)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)/N=C/1\SC2C(N1c1ccc(cc1)N(C)C)CS(=O)(=O)C2

STK630521
Synonyms: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2S)-1-hydroxy-4-(methylsulfanyl)butan-2-yl]acetamide
Smiles: CSCC[C@H](NC(=O)Cc1csc(n1)c1ccc(c(c1)OC)OC)CO

STK630522
Synonyms: N-[1-butyl-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide
Smiles: CCCCn1c(=O)nc(c2c1NC(=O)C2(NC(=O)c1ccco1)C(F)(F)F)O

STK630525
Synonyms: [1-(2-chloro-7H-purin-6-yl)piperidin-4-yl][4-(pyridin-2-yl)piperazin-1-yl]methanone
Smiles: Clc1nc2nc[nH]c2c(n1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccn1

STK630526
Synonyms: 3-(acetylamino)-N-[(2E)-4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccc2c(c1)c(c1cs/c(=N/C(=O)c3cccc(c3)NC(=O)C)/[nH]1)c([nH]2)C

STK630528
Synonyms: N-[2-oxo-2-(4-{[4-(pyridin-2-yl)piperazin-1-yl]carbonyl}piperidin-1-yl)ethyl]benzamide
Smiles: O=C(N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccn1)CNC(=O)c1ccccc1

STK630529
Synonyms: (4E)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
Smiles: CCCOc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)C)OC)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C

STK630530
Synonyms: (4E)-4-{hydroxy[3-methyl-4-(propan-2-yloxy)phenyl]methylidene}-1-[3-(morpholin-4-yl)propyl]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: CC(Oc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCCN1CCOCC1)/O)C

STK630532
Synonyms: 1-fluoro-1',3',7,9,9-pentamethyl-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[7,11-methanoazepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cccc(c1N1C2C2(C)CC1CC(C2)(C)C)F

STK630533
Synonyms: 3,9-dimethyl-7-(2-methylpropyl)-1-[2-(morpholin-4-yl)ethyl]-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione
Smiles: CC(Cn1c(=O)n(C)c2c(c1=O)n1CC(=NN(c1n2)CCN1CCOCC1)C)C

STK630534
Synonyms: (5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[({3-[5-(hydroxymethyl)furan-2-yl]phenyl}amino)methylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(CCN2C(=O)N=C(/C(=C\Nc3cccc(c3)c3ccc(o3)CO)/C2=O)O)ccc1OC

STK630536
Synonyms: N-[(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Smiles: COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)NCCc1nc2c([nH]1)cccc2

STK630537
Synonyms: N-(2,6-dimethylphenyl)-2-[(1-hydroxy-9-oxo-9H-xanthen-3-yl)oxy]acetamide
Smiles: O=C(Nc1c(C)cccc1C)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1

STK630541
Synonyms: N-(3,4-dimethoxyphenyl)-1-(9H-purin-6-yl)piperidine-4-carboxamide
Smiles: COc1cc(ccc1OC)NC(=O)C1CCN(CC1)c1ncnc2c1nc[nH]2

STK630543
Synonyms: 5-methyl-10-(phenylcarbonyl)-8-(tetrahydrofuran-2-ylmethyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: O=C1N(CC2CCCO2)C(=O)C2C1C1C=C(C)c3c(N1C2C(=O)c1ccccc1)cccc3

STK630546
Synonyms: (4E)-1-(furan-2-ylmethyl)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)pyrrolidine-2,3-dione
Smiles: COc1cc(ccc1O)C1N(Cc2ccco2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCc1cccc(c1)C)/O

STK630547
Synonyms: [4-(2-methoxyphenyl)piperazin-1-yl][2-(1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl]methanone
Smiles: COc1ccccc1N1CCN(CC1)C(=O)c1ccc2c(c1)sc(n2)n1cccc1

STK630550
Synonyms: N-[(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)NCCc1nc2c([nH]1)cccc2

STK630552
Synonyms: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-hexyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Smiles: CCCCCCNc1nc(nc2c1c1CC(C)(C)OCc1s2)n1nc(cc1C)C

STK630553
Synonyms: ethyl1-[N-(2-chloro-7H-purin-6-yl)-beta-alanyl]piperidine-4-carboxylate
Smiles: CCOC(=O)C1CCN(CC1)C(=O)CCNc1nc(Cl)nc2c1[nH]cn2

STK630555
Synonyms: N-[(2Z)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: Cc1ccc2c(c1)sc(n2)c1ccc(cc1)N1/C(=N/C(=O)C)/SC2C1CS(=O)(=O)C2

STK630556
Synonyms: [5-(4-methylphenyl)furan-2-yl](morpholin-4-yl)methanethione
Smiles: Cc1ccc(cc1)c1ccc(o1)C(=S)N1CCOCC1

STK630557
Synonyms: (2E)-N-(3-bromophenyl)-2-[(methylsulfonyl)imino]-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: Brc1cccc(c1)NC(=O)c1ccc2c(c1)s/c(=N/S(=O)(=O)C)/[nH]2

STK630559
Synonyms: 8-(butan-2-yl)-5-methyl-10-[(3-nitrophenyl)carbonyl]-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: CCC(N1C(=O)C2C(C1=O)C(N1C2C=C(C)c2c1cccc2)C(=O)c1cccc(c1)[N+](=O)[O-])C

STK630560
Synonyms: N-(3-ethoxypropyl)-8-phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
Smiles: CCOCCCNc1nc2sc(cc2c2n1ncn2)c1ccccc1

STK630562
Synonyms: 4-butyl-7-hydroxy-8-{[(4-phenoxyphenyl)amino]methyl}-2H-chromen-2-one
Smiles: CCCCc1cc(=O)oc2c1ccc(c2CNc1ccc(cc1)Oc1ccccc1)O

STK630563
Synonyms: (5Z)-5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Cc1cc(C)cc(c1)N1C(=O)N=C(/C(=C/c2cc(n(c2C)c2ccc(cc2)C(C)(C)C)C)/C1=O)O

STK630566
Synonyms: (4Z)-4-(1-hydroxyethylidene)-1-(hydroxymethyl)-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)C1/C(=C(/O)\C)/C(=O)C(=O)N1CO

STK630567
Synonyms: 1,3-dicyclopropyl-1-(furan-2-ylmethyl)thiourea
Smiles: S=C(N(C1CC1)Cc1ccco1)NC1CC1

STK630571
Synonyms: (4E)-1-[3-(dimethylamino)propyl]-5-(4-ethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1CCCN(C)C

STK630572
Synonyms: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(furan-2-yl)-5-(pyrrolidin-1-yl)-1,3-oxazole
Smiles: O=S(=O)(c1nc(oc1N1CCCC1)c1ccco1)c1ccc2c(c1)OCCO2

STK630573
Synonyms: 4-tert-butyl-N-[1-(2-chlorobenzyl)-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
Smiles: OC1=NC(C(=O)N1Cc1ccccc1Cl)(NC(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F

STK630574
Synonyms: 2-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-N'-[(3E)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
Smiles: COc1cc(/C=N/OCC(=O)N/N=C/2\c3ccccc3N(C2=O)CN2CCCCC2c2cccnc2)ccc1OC

STK630576
Synonyms: 2-[4-(11-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperazin-1-yl]ethanol
Smiles: OCCN1CCN(CC1)c1nc2sc3c(c2c2n1ncn2)C(C)CCC3

STK630577
Synonyms: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
Smiles: COc1ccc2c(c1)c(CCNC(=O)Cc1csc(n1)c1cc(OC)c(c(c1)OC)OC)c[nH]2

STK630581
Synonyms: 2-[4-(5-cyano-3,3-dimethyl-8-propyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
Smiles: CCCc1nc(N2CCN(CC2)CC(=O)Nc2ccccc2OC)c(c2c1COC(C2)(C)C)C#N

STK630584
Synonyms: methyl4-[(E)-{3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CC(=O)N1CCN(CC1)C

STK630585
Synonyms: methyl4-[(3E)-3-[1-benzofuran-2-yl(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2noc(c2)C)C(=O)C(=O)/C/1=C(\c1cc2c(o1)cccc2)/O

STK630588
Synonyms: ethyl3-(1H-indol-3-yl)-5-oxohexanoate
Smiles: CCOC(=O)CC(c1c[nH]c2c1cccc2)CC(=O)C

STK630591
Synonyms: methylN-(1,1-dioxidotetrahydrothiophen-3-yl)-beta-alaninate
Smiles: COC(=O)CCNC1CCS(=O)(=O)C1

STK630592
Synonyms: (2E,5E)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-(prop-2-en-1-yl)-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
Smiles: C=CCN1/C(=N\c2nnc(s2)C)/S/C(=C/c2ccc3c(c2)cccn3)/C1=O

STK630593
Synonyms: (5E)-3-(2-methoxyphenyl)-5-(quinoxalin-6-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccccc1N1C(=S)S/C(=C/c2ccc3c(c2)nccn3)/C1=O

STK630594
Synonyms: 2-(1,3-benzodioxol-5-yl)-3-(4-fluorobenzyl)-2,3-dihydroquinazolin-4(1H)-one
Smiles: Fc1ccc(cc1)CN1C(Nc2c(C1=O)cccc2)c1ccc2c(c1)OCO2

STK630599
Synonyms: 4-hydroxy-8-{2-[(2-methoxyphenyl)amino]ethyl}-1,7-dimethyl-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: COc1ccccc1NCCn1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK630602
Synonyms: 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(morpholin-4-yl)propyl]propanamide
Smiles: O=C(CC[C@@H]1NC(=O)N(C1=O)Cc1ccc2c(c1)OCO2)NCCCN1CCOCC1

STK630603
Synonyms: N-(2-chlorophenyl)-2-[2-(pyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide
Smiles: S=C(N1CCCCC1CCN1CCCC1)Nc1ccccc1Cl

STK630605
Synonyms: 1-[1-hydroxy-11-(2-methoxyphenyl)-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-phenylethanone
Smiles: COc1ccccc1C1C2=C(O)CC(CC2=Nc2c(N1C(=O)Cc1ccccc1)cccc2)(C)C

STK630606
Synonyms: N-[2-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide
Smiles: Cc1ccc(cc1)C(=O)NC1(N=C(N(C1=O)Cc1cccnc1)O)C(F)(F)F

STK630608
Synonyms: N-(4-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]methoxy}phenyl)benzamide
Smiles: Clc1ccc(cc1)n1nnnc1COc1ccc(cc1)NC(=O)c1ccccc1

STK630610
Synonyms: 2-methylpropyl4-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
Smiles: CC(COC(=O)c1ccc(cc1)NC(=O)C12CCC(C1)C(C2=C)(C)C)C

STK630611
Synonyms: 2-(4-bromophenyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ol
Smiles: Brc1ccc(cc1)c1nn2c(n1)c1c(nc2O)sc2c1CCC2

STK630612
Synonyms: methyl4-{(Z)-[3-(2-{[(3S,4R)-4-hydroxytetrahydrothiophen-3-yl]amino}-2-oxoethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CC(=O)N[C@@H]1CSC[C@@H]1O

STK630613
Synonyms: 7-methoxy-3-{(E)-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}quinolin-2(1H)-one
Smiles: COc1ccc(cc1)N1C(=S)S/C(=C/c2cc3ccc(cc3[nH]c2=O)OC)/C1=O

STK630616
Synonyms: 2-[(5E)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
Smiles: COc1cc(ccc1OC)/C=C\1/SC(=S)N(C1=O)CC(=O)NCCN(C)C

STK630617
Synonyms: N~2~-[(4-hydroxyphthalazin-1-yl)acetyl]-N-(pyridin-4-ylmethyl)glycinamide
Smiles: O=C(NCc1ccncc1)CNC(=O)Cc1nnc(c2c1cccc2)O

STK630618
Synonyms: 6,6-dimethyl-3-phenyl-2-[4-(2-phenylethyl)piperazin-1-yl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=c1c2c(sc3c2CC(C)(C)OC3)nc(n1c1ccccc1)N1CCN(CC1)CCc1ccccc1

STK630620
Synonyms: (2Z)-2-[(methylsulfonyl)imino]-N-{2-[(pyridin-4-ylcarbonyl)amino]ethyl}-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: O=C(c1ccc2c(c1)s/c(=N\S(=O)(=O)C)/[nH]2)NCCNC(=O)c1ccncc1

STK630622
Synonyms: 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]-N-(quinolin-5-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccn2)COc1cc(O)c2c(c1)OC(CC2=O)(C)C

STK630624
Synonyms: (2E)-N-(furan-2-ylmethyl)-2-[(methylsulfonyl)imino]-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: O=C(c1ccc2c(c1)s/c(=N/S(=O)(=O)C)/[nH]2)NCc1ccco1

STK630626
Synonyms: (4E)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: COc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc(c(c2)C)OC)\O)/C(=O)C1=O

STK630628
Synonyms: 1-(2,4-dimethoxyphenyl)-3-(4-hydroxy-5,6,7,8-tetrahydroquinazolin-2-yl)guanidine
Smiles: COc1ccc(c(c1)OC)NC(=N)Nc1nc(O)c2c(n1)CCCC2

STK630629
Synonyms: N~2~-(diphenylacetyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-L-valinamide
Smiles: COc1ccc2c(c1)c(CCNC(=O)[C@H](C(C)C)NC(=O)C(c1ccccc1)c1ccccc1)c[nH]2

STK630633
Synonyms: (5E)-3-methyl-5-(quinolin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccc3c(n2)cccc3)/C(=O)N1C

STK630638
Synonyms: (5Z)-3-(3-chlorophenyl)-5-[5-(2,5-dimethoxyphenyl)pyrazolidin-3-ylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(c(c1)C1NN/C(=C\2/C(=NC(=O)N(C2=O)c2cccc(c2)Cl)O)/C1)OC

STK630639
Synonyms: 3-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-cycloheptylpropanamide
Smiles: O=C(NC1CCCCCC1)CC[C@@H]1NC(=O)N(C1=O)Cc1ccc2c(c1)OCO2

STK630640
Synonyms: N-[3-(morpholin-4-yl)propyl]-2-[(4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetamide
Smiles: O=C(COc1ccc2c(c1)OC1(CC2=O)CCCCC1)NCCCN1CCOCC1

STK630641
Synonyms: trans-4-({[(4-fluorophenyl)sulfonyl]amino}methyl)-N-{(2S)-1-[(2-hydroxyethyl)amino]-1-oxopropan-2-yl}cyclohexanecarboxamide
Smiles: OCCNC(=O)[C@@H](NC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccc(cc1)F)C

STK630642
Synonyms: 7-methoxy-3-[(E)-{3-[3-(morpholin-4-yl)propyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]quinolin-2(1H)-one
Smiles: COc1ccc2c(c1)[nH]c(=O)c(c2)/C=C\1/SC(=S)N(C1=O)CCCN1CCOCC1

STK630644
Synonyms: 2-chloro-6-[4-(3-methoxyphenyl)piperazin-1-yl]-7H-purine
Smiles: COc1cccc(c1)N1CCN(CC1)c1nc(Cl)nc2c1[nH]cn2

STK630645
Synonyms: 1-benzyl-3-(6-bromo-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)pyrrolidine-2,5-dione
Smiles: O=C1CC(C(=O)N1Cc1ccccc1)N1CCc2c(C1)c1cccc(c1[nH]2)Br

STK630648
Synonyms: 7-methoxy-3-{(E)-[3-(morpholin-4-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}quinolin-2(1H)-one
Smiles: COc1ccc2c(c1)[nH]c(=O)c(c2)/C=C\1/SC(=S)N(C1=O)N1CCOCC1

STK630654
Synonyms: 2-imino-N,1-bis(2-methoxyethyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Smiles: COCCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCCOC

STK630660
Synonyms: 8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(=O)c(c2)c1ccc(cc1)OC

STK630661
Synonyms: 1-(1H-indol-2-ylcarbonyl)-N-(4-methoxybenzyl)piperidine-3-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)C1CCCN(C1)C(=O)c1cc2c([nH]1)cccc2

STK630663
Synonyms: (2E)-2-{[(4-chlorophenyl)sulfonyl]imino}-N-(1H-indol-5-yl)-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: Clc1ccc(cc1)S(=O)(=O)/N=c\1/sc2c([nH]1)ccc(c2)C(=O)Nc1ccc2c(c1)cc[nH]2

STK630665
Synonyms: (4E)-5-(3,4-dimethoxyphenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Smiles: COCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCc2cccc(c2)C)/O)/C1c1ccc(c(c1)OC)OC

STK630669
Synonyms: {1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}[4-(pyridin-2-yl)piperazin-1-yl]methanone
Smiles: Clc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)N1CCN(CC1)c1ccccn1

STK630671
Synonyms: N-(2,4-difluorophenyl)-2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)acetamide
Smiles: COc1cc2OC(C)(C)CCc2c2c1c(C)c(CC(=O)Nc1ccc(cc1F)F)c(=O)o2

STK630673
Synonyms: N-(2,5-dimethoxyphenyl)-5-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide
Smiles: COc1ccc(cc1S(=O)(=O)Nc1cc(OC)ccc1OC)N1C(=O)C(CS1(=O)=O)(C)C

STK630676
Synonyms: N~2~-(2-chloro-7H-purin-6-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]glycinamide
Smiles: O=C(CNc1nc(Cl)nc2c1[nH]cn2)NCCc1onc(n1)c1ccccc1

STK630678
Synonyms: N-(4-chloro-1,1-dioxidotetrahydrothiophen-3-yl)-4-phenylbutanamide
Smiles: ClC1CS(=O)(=O)CC1NC(=O)CCCc1ccccc1

STK630680
Synonyms: 4-amino-N-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
Smiles: Nc1ccc(cc1)S(=O)(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2c1ccc(cc1)F)C(F)(F)F

STK630682
Synonyms: 3-(4-fluorophenyl)-10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CC1CCc2c(C1)c1c(s2)ncn2c1nnc2c1ccc(cc1)F

STK630686
Synonyms: (5Z)-3-(3-hydroxyphenyl)-5-(quinoxalin-5-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1cccc(c1)N1C(=S)S/C(=C\c2cccc3c2nccn3)/C1=O

STK630689
Synonyms: (5Z)-5-[1-acetyl-5-(4-methoxyphenyl)pyrazolidin-3-ylidene]-3-cyclohexyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1)C1C/C(=C/2\C(=NC(=O)N(C2=O)C2CCCCC2)O)/NN1C(=O)C

STK630690
Synonyms: 3-[3-(cycloheptylamino)-3-oxopropyl]-4-methyl-2-oxo-2H-chromen-7-ylacetate
Smiles: O=C(NC1CCCCCC1)CCc1c(=O)oc2c(c1C)ccc(c2)OC(=O)C

STK630694
Synonyms: 3-methoxy-N-[5-oxo-2-phenyl-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
Smiles: C=CCN1C(=NC(C1=O)(NC(=O)c1cccc(c1)OC)C(F)(F)F)c1ccccc1

STK630695
Synonyms: 5-(4-chlorophenyl)-2-hydroxy-1-methylpyrido[2,3-d]pyrimidin-4(1H)-one
Smiles: Clc1ccc(cc1)c1ccnc2c1c(=O)nc(n2C)O

STK630697
Synonyms: (2E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Smiles: O=C(c1ccccc1O)/C=C/c1ccc2c(c1)OCCCO2

STK630698
Synonyms: N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1H-indol-5-yl)ethanediamide
Smiles: COc1cc(CCNC(=O)C(=O)Nc2ccc3c(c2)cc[nH]3)ccc1OC

STK630700
Synonyms: 3-cyclopropyl-1-(3,4-dimethoxybenzyl)-1-[2-(morpholin-4-yl)ethyl]thiourea
Smiles: COc1cc(ccc1OC)CN(C(=S)NC1CC1)CCN1CCOCC1

STK630702
Synonyms: 7-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethoxy}spiro[chromene-2,1'-cyclohexan]-4(3H)-one
Smiles: O=C(N1CCN(CC1)c1ccccn1)COc1ccc2c(c1)OC1(CC2=O)CCCCC1

STK630706
Synonyms: N-(2-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-1-carbothioamide
Smiles: CN1CCN(CC1)C(=O)CN1CCN(CC1)C(=S)Nc1ccccc1Cl

STK630708
Synonyms: N-(butan-2-yl)-2-{3-[4-({6-chloro-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}acetyl)piperazin-1-yl]quinoxalin-2-yl}-2-cyanoacetamide
Smiles: CCC(NC(=O)C(c1nc2ccccc2nc1N1CCN(CC1)C(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)OCC(=C)C)Cl)C#N)C

STK630710
Synonyms: (4E)-1-[2-(dimethylamino)ethyl]-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-5-(pyridin-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccn1)CCN(C)C)/O

STK630712
Synonyms: N-(4-chlorophenyl)-1-(2-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carboxamide
Smiles: COc1cc2CCN(C(c2cc1OC)c1ccccc1F)C(=O)Nc1ccc(cc1)Cl

STK630713
Synonyms: 1-[2-(2,4-dichlorophenyl)ethyl]-5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: Clc1ccc(c(c1)Cl)CCN1CC(=C(C1=N)c1scc(n1)c1ccccc1)O

STK630714
Synonyms: 2-(6-chloro-7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
Smiles: COc1cc2oc(=O)c(c(c2cc1Cl)C)CC(=O)Nc1ncc(s1)C

STK630715
Synonyms: 2-methoxy-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methoxyphenyl)acetamide
Smiles: COCC(=O)N(c1ccccc1OC)Cc1cc2cc(OC)ccc2[nH]c1=O

STK630716
Synonyms: 1-cyclopropyl-6,7-difluoro-8-methoxy-3-{[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl}quinolin-4(1H)-one
Smiles: COc1cccc(c1)N1CCN(CC1)C(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2OC)F)F

STK630717
Synonyms: [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl][4-(dimethylamino)phenyl]methanethione
Smiles: Clc1ccc(cc1)C1(O)CCN(CC1)C(=S)c1ccc(cc1)N(C)C

STK630719
Synonyms: 7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-3-phenyl-4H-chromen-4-one
Smiles: CC1CCN(CC1)C(=O)COc1ccc2c(c1)occ(c2=O)c1ccccc1

STK630722
Synonyms: 1-(2-chloro-7H-purin-6-yl)-N-[3-(morpholin-4-yl)propyl]piperidine-3-carboxamide
Smiles: O=C(C1CCCN(C1)c1nc(Cl)nc2c1[nH]cn2)NCCCN1CCOCC1

STK630723
Synonyms: 2-(2,3-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
Smiles: COc1ccc(cc1)c1noc(c1)NC(=O)COc1cccc(c1C)C

STK630725
Synonyms: N-[2-(4-methoxyphenyl)ethyl]-2-(7H-purin-6-ylsulfanyl)propanamide
Smiles: COc1ccc(cc1)CCNC(=O)C(Sc1ncnc2c1[nH]cn2)C

STK630727
Synonyms: N-(4-chlorobenzyl)-2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)oxy]acetamide
Smiles: O=C(NCc1ccc(cc1)Cl)COc1ccc2c(c1)c(=O)n1c(n2)CCCCC1

STK630733
Synonyms: 1-(furan-2-ylmethyl)-3-phenyl-1-(tetrahydrofuran-2-ylmethyl)urea
Smiles: O=C(N(Cc1ccco1)CC1CCCO1)Nc1ccccc1

STK630735
Synonyms: 1'-fluoro-2,2,7',9',9'-pentamethyl-6a',7',8',9',10',11'-hexahydro-5'H-spiro[1,3-dioxane-5,6'-[7,11]methanoazepino[1,2-a]quinoline]-4,6-dione
Smiles: Fc1cccc2c1N1C3CC(CC(C1C1(C2)C(=O)OC(OC1=O)(C)C)(C3)C)(C)C

STK630736
Synonyms: 6-chloro-N-(3-{5-[(furan-2-ylcarbonyl)amino]-1-methyl-1H-benzimidazol-2-yl}propyl)pyridine-3-carboxamide
Smiles: Clc1ccc(cn1)C(=O)NCCCc1nc2c(n1C)ccc(c2)NC(=O)c1ccco1

STK630737
Synonyms: (6Z)-5-imino-2-[2-oxo-2-(piperidin-1-yl)ethyl]-6-[4-(1-phenylethoxy)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)OC(c3ccccc3)C)/C2=N)s1

STK630739
Synonyms: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)Cc1ccncc1)Nc1cc(ccc1Cl)C(F)(F)F

STK630741
Synonyms: 3-cyclopropyl-1-(furan-2-ylmethyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea
Smiles: S=C(N(Cc1ccco1)CC1CCCO1)NC1CC1

STK630744
Synonyms: 1-[(4-ethoxyphenyl)sulfonyl]-N-4H-1,2,4-triazol-4-ylprolinamide
Smiles: CCOc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nn1cnnc1

STK630745
Synonyms: (2E)-N-(1,3-benzodioxol-5-yl)-2-[(methylsulfonyl)imino]-2,3-dihydro-1,3-benzothiazole-6-carboxamide
Smiles: O=C(c1ccc2c(c1)s/c(=N/S(=O)(=O)C)/[nH]2)Nc1ccc2c(c1)OCO2

STK630748
Synonyms: N-(5-bromo-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N'-(2-phenylethyl)ethanediamide
Smiles: CCN1C(=O)C(c2c1ccc(c2)Br)NC(=O)C(=O)NCCc1ccccc1

STK630749
Synonyms: (6bS,9aR)-10-(2,2-dimethylpropanoyl)-3-methyl-8-(prop-2-en-1-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: C=CCN1C(=O)[C@H]2[C@@H](C1=O)C(N1C2C=Cc2c1ccc(c2)C)C(=O)C(C)(C)C

STK630750
Synonyms: 2,3,5-trimethyl-6-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-7H-furo[3,2-g]chromen-7-one
Smiles: O=C(N1CCN(CC1)c1ncccn1)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C

STK630751
Synonyms: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-{(2S)-1-[(3-methoxypropyl)amino]-1-oxopropan-2-yl}piperidine-4-carboxamide
Smiles: COCCCNC(=O)[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2c1nsn2)C

STK630753
Synonyms: 7-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy}-3-phenyl-4H-chromen-4-one
Smiles: O=C(N1CCN(CC1)c1ccccc1F)COc1ccc2c(c1)occ(c2=O)c1ccccc1

STK630754
Synonyms: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(quinolin-5-yl)propanamide
Smiles: O=C(Nc1cccc2c1cccn2)CCc1onc(n1)c1ccc(cc1)Cl

STK630759
Synonyms: 1-(2,4-dichlorobenzyl)-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: Clc1ccc(c(c1)Cl)CN1CC(=C(C1=N)c1scc(n1)C)O

STK630760
Synonyms: N-(butan-2-yl)-2-{4-[4-cyano-1-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]piperazin-1-yl}-2-oxoacetamide
Smiles: CCC(NC(=O)C(=O)N1CCN(CC1)c1nc(c2ccco2)c2c(c1C#N)CCC2)C

STK630765
Synonyms: (6bS,9aR)-10-[(4-methoxyphenyl)carbonyl]-5-methyl-8-(prop-2-en-1-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: C=CCN1C(=O)[C@@H]2[C@H](C1=O)C1N(C2C(=O)c2ccc(cc2)OC)c2ccccc2C(=C1)C

STK630766
Synonyms: 1-[1,4-bis(4-bromophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]ethanone
Smiles: Brc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)C)c1ccc(cc1)Br

STK630769
Synonyms: 4-[(3E)-2,5-dioxo-3-(pentafluorobenzylidene)pyrrolidin-1-yl]benzoicacid
Smiles: O=C1C/C(=C\c2c(F)c(F)c(c(c2F)F)F)/C(=O)N1c1ccc(cc1)C(=O)O

STK630770
Synonyms: 2-(4-methylpiperazin-1-yl)-6-[(pyrimidin-2-ylsulfanyl)methyl]pyrimidin-4-ol
Smiles: CN1CCN(CC1)c1nc(CSc2ncccn2)cc(n1)O

STK630771
Synonyms: 1-(2,5-dimethoxyphenyl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone
Smiles: COc1ccc(cc1C(=O)CSc1nnc2n1c1ccccc1[nH]2)OC

STK630774
Synonyms: 4-ethyl-8-{[(3-methylphenyl)ammonio]methyl}-2-oxo-2H-chromen-7-olate
Smiles: CCc1cc(=O)oc2c1ccc(c2C[NH2+]c1cccc(c1)C)[O-]

STK630776
Synonyms: N-(5-chloropyridin-2-yl)-N'-(2-methoxybenzyl)ethanediamide
Smiles: COc1ccccc1CNC(=O)C(=O)Nc1ccc(cn1)Cl

STK630778
Synonyms: 4-[(10aS)-7,8-dimethoxy-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-[2-(morpholin-4-yl)ethyl]butanamide
Smiles: COc1cc2CN3C(=O)N(C(=O)[C@@H]3Cc2cc1OC)CCCC(=O)NCCN1CCOCC1

STK630781
Synonyms: 1-(2-bromophenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-imino-2,5-dihydro-1H-pyrrol-3-ol
Smiles: OC1=C(c2sc(c(n2)C)C)C(=N)N(C1)c1ccccc1Br

STK630782
Synonyms: 7-hydroxy-4,8-dimethyl-6-(pyrrolidin-1-ylmethyl)-2H-chromen-2-one
Smiles: O=c1cc(C)c2c(o1)c(C)c(c(c2)CN1CCCC1)O

STK630783
Synonyms: 1-(1H-indol-5-ylcarbonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
Smiles: COc1cc(NC(=O)C2CCCN(C2)C(=O)c2ccc3c(c2)cc[nH]3)cc(c1OC)OC

STK630785
Synonyms: N-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-N'-[3-(2-oxopyrrolidin-1-yl)propyl]ethanediamide
Smiles: Clc1ccc(c(c1)Cl)Cn1nc(c(c1C)NC(=O)C(=O)NCCCN1CCCC1=O)C

STK630787
Synonyms: 10,10-dimethyl-5-(piperidin-1-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)nc(n2c1ncn2)N1CCCCC1

STK630789
Synonyms: [4-(4-methoxyphenyl)piperazin-1-yl][1-(5-nitropyridin-2-yl)piperidin-4-yl]methanone
Smiles: COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]

STK630792
Synonyms: (4E)-1-[3-(dimethylamino)propyl]-4-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}-5-(pyridin-4-yl)pyrrolidine-2,3-dione
Smiles: CN(CCCN1C(c2ccncc2)/C(=C(/c2ccc(cc2)OC(C)C)\O)/C(=O)C1=O)C

STK630794
Synonyms: 2-[(8-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-pentylpyrimidin-4-ol
Smiles: CCCCCc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)c(OC)ccc2

STK630796
Synonyms: 2-ethoxy-N-(pyridin-4-ylmethyl)-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]pyridine-3-carboxamide
Smiles: CCOc1ncccc1C(=O)N(Cc1ccncc1)CCS(=O)(=O)N1CCCC1

STK630797
Synonyms: 2-[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
Smiles: O=C(NCc1ccncc1)COc1ccc2c(c1)c(=O)n1c(n2)CCCCC1

STK630798
Synonyms: N-(3-bromophenyl)-4-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)benzenesulfonamide
Smiles: Brc1cccc(c1)NS(=O)(=O)c1ccc(cc1)N1C(=O)C(CS1(=O)=O)(C)C

STK630799
Synonyms: (4E)-1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-4-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}pyrrolidine-2,3-dione
Smiles: CN(CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC(C)C)/O)/C1c1ccccc1F)C

STK630800
Synonyms: 2-{[5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nnc([nH]1)c1cccnc1

STK630801
Synonyms: N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)ethanediamide
Smiles: NC(=O)C(=O)Nc1c(C)nn(c1C)Cc1ccccc1

STK630802
Synonyms: trans-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-{[(phenylsulfonyl)amino]methyl}cyclohexanecarboxamide
Smiles: CN1CCN(CC1)C(=O)CNC(=O)[C@@H]1CC[C@H](CC1)CNS(=O)(=O)c1ccccc1

STK630803
Synonyms: 3-(4-chlorophenyl)-6-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-7H-furo[3,2-g]chromen-7-one
Smiles: OCCN1CCN(CC1)C(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)Cl

STK630804
Synonyms: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)-1-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]thiourea
Smiles: COCCN(C(=S)Nc1cc(ccc1Cl)C(F)(F)F)Cc1cc(=O)[nH]c2c1cccc2

STK630806
Synonyms: 2-{[(2-aminoethyl)sulfanyl]methyl}quinazolin-4-ol
Smiles: NCCSCc1nc(O)c2c(n1)cccc2

STK630808
Synonyms: (4E)-1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)pyrrolidine-2,3-dione
Smiles: CN(CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCc2cccc(c2)C)/O)/C1c1ccccc1F)C

STK630809
Synonyms: N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Smiles: COc1ccc2c(c1)[nH]cc2CCNC(=O)c1ccc2c(c1)sc(n2)n1cccc1

STK630811
Synonyms: 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-imino-1-phenyl-2,5-dihydro-1H-pyrrol-3-ol
Smiles: Clc1ccc(cc1)c1csc(n1)C1=C(O)CN(C1=N)c1ccccc1

STK630812
Synonyms: (2Z)-7-[(dipropylammonio)methyl]-2-(3-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)OC)/C2=O)CCC

STK630813
Synonyms: N-(3,4-dimethoxybenzyl)-1-(1H-indol-2-ylcarbonyl)piperidine-3-carboxamide
Smiles: COc1cc(CNC(=O)C2CCCN(C2)C(=O)c2cc3c([nH]2)cccc3)ccc1OC

STK630815
Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N'-{2-[(pyridin-4-ylmethyl)carbamoyl]phenyl}ethanediamide
Smiles: Cc1nn(c(c1)C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccncc1

STK630818
Synonyms: N-[3-(dimethylamino)propyl]-N'-(pyridin-4-yl)ethanediamide
Smiles: CN(CCCNC(=O)C(=O)Nc1ccncc1)C

STK630821
Synonyms: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
Smiles: Cc1cnc(s1)NC(=O)c1ccc2c(c1)sc(n2)n1c(C)ccc1C

STK630823
Synonyms: 6-chloro-N-(2-{1-methyl-5-[(methylsulfonyl)amino]-1H-benzimidazol-2-yl}ethyl)pyridine-3-carboxamide
Smiles: Clc1ccc(cn1)C(=O)NCCc1nc2c(n1C)ccc(c2)NS(=O)(=O)C

STK630824
Synonyms: 1-(2-chloro-7H-purin-6-yl)-N-(5-hydroxypentyl)piperidine-3-carboxamide
Smiles: OCCCCCNC(=O)C1CCCN(C1)c1nc(Cl)nc2c1[nH]cn2

STK630826
Synonyms: (4E)-5-(2,3-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(5-methylfuran-2-yl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1c(OC)cccc1C1N(c2nc3c(s2)cc(cc3)CC)C(=O)C(=O)/C/1=C(\c1ccc(o1)C)/O

STK630828
Synonyms: [4-(2-methoxyphenyl)piperazin-1-yl][1-(5-nitropyridin-2-yl)piperidin-4-yl]methanone
Smiles: COc1ccccc1N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(cn1)[N+](=O)[O-]

STK630829
Synonyms: 5-[4-(diphenylmethyl)piperazin-1-yl]-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: c1ccc(cc1)C(c1ccccc1)N1CCN(CC1)c1nc2sc3c(c2c2n1ncn2)CCC3

STK630830
Synonyms: 3,5-dimethoxy-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(propan-2-yl)benzamide
Smiles: COc1cc(OC)cc(c1)C(=O)N(C(C)C)Cc1cc2ccccc2[nH]c1=O

STK630833
Synonyms: 5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-1-[2-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-3-ol
Smiles: OC1=C(c2scc(n2)c2ccccc2)C(=N)N(C1)c1ccccc1C(C)C

STK630835
Synonyms: (2Z)-2-(5-bromo-2-methoxybenzylidene)-7-[(dipropylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(Br)ccc1OC)/C2=O)CCC

STK630836
Synonyms: N-[2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)phenyl]-N'-(pyridin-3-ylmethyl)ethanediamide
Smiles: O=C(C(=O)NCc1cccnc1)Nc1ccccc1C(=O)NC1Cc2c(C1)cccc2

STK630837
Synonyms: 4-acetyl-5-(3,4-dimethoxyphenyl)-1-hexadecyl-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCCCCCCCCCCCCN1C(=O)C(=C(C1c1ccc(c(c1)OC)OC)C(=O)C)O

STK630838
Synonyms: 3-(4-chlorophenyl)-1-(3,4-dimethoxybenzyl)-1-[2-(morpholin-4-yl)ethyl]urea
Smiles: COc1cc(ccc1OC)CN(C(=O)Nc1ccc(cc1)Cl)CCN1CCOCC1

STK630840
Synonyms: 5-ethyl-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Smiles: CCn1cc(C(=O)N[C@H](C(=O)N2CCN(CC2)C)Cc2ccccc2)c(=O)c2c1cc1OCOc1c2

STK630841
Synonyms: N-[1-(2-chlorobenzyl)-2-hydroxy-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-phenylpropanamide
Smiles: O=C(NC1(N=C(N(C1=O)Cc1ccccc1Cl)O)C(F)(F)F)CCc1ccccc1

STK630842
Synonyms: N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamide
Smiles: O=C(Nc1cc(nn1c1ccccc1)C)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C

STK630843
Synonyms: N-(1,3-dihydro-2H-benzimidazol-2-ylidene)-5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Smiles: CCn1cc(C(=O)/N=c/2\[nH]c3c([nH]2)cccc3)c(=O)c2c1cc1OCOc1c2

STK630846
Synonyms: N-(2,2-dimethoxyethyl)-2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Smiles: COC(CNC(=O)c1ccc2c(c1)sc(n2)n1c(C)ccc1C)OC

STK583229
Synonyms:
Smiles: CCC([C@@H](C(=O)NCCCOC(C)C)NC(=O)N1CCn2c1nc1c2cccc1)C

STK625275
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)N1CCN(CC1)C(=O)c1cc2c([nH]1)cccc2)C

STK612161
Synonyms:
Smiles: Cc1ccc(cc1)Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc2c1nsn2

STK568158
Synonyms:
Smiles: OC(=O)c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STK640758
Synonyms: N-[4-(dimethylamino)benzyl]-3-phenyl-N-(pyridin-2-yl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Smiles: O=C(C1=C(SCCO1)c1ccccc1)N(c1ccccn1)Cc1ccc(cc1)N(C)C

STK630848
Synonyms: (3E)-3-(4-hydroxybenzylidene)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
Smiles: COc1ccc(cc1)N1C(=O)C/C(=C\c2ccc(cc2)O)/C1=O

STK630849
Synonyms: 4-(1H-indol-2-ylcarbonyl)-N-{3-[(4-methoxyphenyl)amino]-3-oxopropyl}piperazine-1-carboxamide
Smiles: COc1ccc(cc1)NC(=O)CCNC(=O)N1CCN(CC1)C(=O)c1cc2c([nH]1)cccc2

STK630852
Synonyms: 2-[(1'-acetyl-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-7-yl)oxy]-N-(4-chlorobenzyl)acetamide
Smiles: O=C(NCc1ccc(cc1)Cl)COc1ccc2c(c1)OC1(CC2=O)CCN(CC1)C(=O)C

STK630854
Synonyms: 2-(5,9-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)-N-[2-(morpholin-4-yl)ethyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccccc1)NCCN1CCOCC1

STK630856
Synonyms: methyl(3-{(E)-[1-(3-bromophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-1-yl)acetate
Smiles: COC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)Br)S

STK630857
Synonyms: (2Z)-7-[(dibutylammonio)methyl]-2-(1H-indol-3-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1c[nH]c3c1cccc3)/C2=O)CCCC

STK630859
Synonyms: (E)-1-(2-chlorophenyl)-N-{[8,9-dimethyl-7-(1,3-thiazol-2-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methoxy}methanimine
Smiles: Clc1ccccc1/C=N/OCc1nn2c(n1)c1c(nc2)n(c(c1C)C)c1nccs1

STK630860
Synonyms: 2-{4-[1-(4,6-dimethylpyrimidin-2-yl)-6-hydroxy-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-methoxyphenoxy}acetamide
Smiles: COc1cc(ccc1OCC(=O)N)C1CC(=Nc2c1c(C)nn2c1nc(C)cc(n1)C)O

STK630861
Synonyms: 2-(4-hydroxyphthalazin-1-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
Smiles: COc1ccc(cc1)c1noc(n1)CNC(=O)Cc1nnc(c2c1cccc2)O

STK630862
Synonyms: 2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
Smiles: COc1cc2OC(C)(C)CCc2c2c1c(C)c(CC(=O)NC1CCCc3c1cccc3)c(=O)o2

STK630864
Synonyms: 2-{4-[4-cyano-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]piperazin-1-yl}-2-oxo-N-(tetrahydrofuran-2-ylmethyl)acetamide
Smiles: N#Cc1c(nc(c2c1CCCC2)C(C)C)N1CCN(CC1)C(=O)C(=O)NCC1CCCO1

STK630865
Synonyms: (3aS,6R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Smiles: O=C(C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)c1ccccc1F)O2)Nc1ccc2c(c1)OCCO2

STK630866
Synonyms: 2-(5-methoxy-4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
Smiles: COc1cc2OC(C)(C)CCc2c2c1c(C)c(CC(=O)NCc1onc(n1)c1ccccc1)c(=O)o2

STK630867
Synonyms: 12-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine-7(6H)-thione
Smiles: CC1CCc2c(C1)c1c3ncnn3c3n(c1s2)c(=S)[nH]n3

STK630868
Synonyms: 3-(2-chlorophenyl)-1-(furan-2-ylmethyl)-1-(4-methoxybenzyl)thiourea
Smiles: COc1ccc(cc1)CN(C(=S)Nc1ccccc1Cl)Cc1ccco1

STK630869
Synonyms: N-(4-{(3E)-2,5-dioxo-3-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]pyrrolidin-1-yl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)C/C(=C\c2c(C)nn(c2C)C)/C1=O

STK630870
Synonyms: (2E)-2-cyano-3-{[(2Z)-3-(4-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-N-(2-phenylethyl)prop-2-enamide
Smiles: COc1ccc(cc1)N1/C(=N/C=C(/C(=O)NCCc2ccccc2)\C#N)/SC2C1CS(=O)(=O)C2

STK630871
Synonyms: 2-[3-(furan-2-yl)-4-phenylbutyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCC(c2ccco2)Cc2ccccc2)C(=O)c2c1cccc2

STK630872
Synonyms: 5-amino-1-(3-bromophenyl)-N-(4-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
Smiles: COc1ccc(cc1)CNC(=O)c1nnn(c1N)c1cccc(c1)Br

STK630873
Synonyms: 2-[(5Z)-5-(2-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(3S,4R)-4-hydroxytetrahydrothiophen-3-yl]acetamide
Smiles: O=C(CN1C(=O)S/C(=C\c2ccccc2F)/C1=O)N[C@@H]1CSC[C@@H]1O

STK630875
Synonyms: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamide
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)NCCc1c[nH]c2c1cc(Cl)cc2

STK630877
Synonyms: 3-(3-{(E)-[1-(3-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoicacid
Smiles: Brc1cccc(c1)N1C(=O)N=C(/C(=C\c2cc(n(c2C)c2cccc(c2)C(=O)O)C)/C1=O)O

STK630878
Synonyms: 1-(2-chloro-7H-purin-6-yl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
Smiles: COc1ccc(cc1)CCNC(=O)C1CCCN(C1)c1nc(Cl)nc2c1[nH]cn2

STK630879
Synonyms: N-{4-[({trans-4-[(3-oxopiperazin-1-yl)carbonyl]cyclohexyl}methyl)sulfamoyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N1CCNC(=O)C1

STK630886
Synonyms: 5-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-4-(4-nitrophenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: COc1ccc2c(c1)c(CCN1C(=O)c3c(C1c1ccc(cc1)[N+](=O)[O-])c([nH]n3)C)c[nH]2

STK630887
Synonyms: 2-({[5-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]sulfonyl}amino)benzamide
Smiles: COc1ccc(cc1S(=O)(=O)Nc1ccccc1C(=O)N)N1C(=O)C(CS1(=O)=O)(C)C

STK630889
Synonyms: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxamide
Smiles: COc1c(F)c(F)cc2c1n(cc(c2=O)C(=O)NCCc1c[nH]c2c1cc(Cl)cc2)C1CC1

STK630890
Synonyms: 3-[(10aS)-7,8-dimethoxy-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-[3-(morpholin-4-yl)propyl]propanamide
Smiles: COc1cc2CN3C(=O)N(C(=O)[C@@H]3Cc2cc1OC)CCC(=O)NCCCN1CCOCC1

STK630894
Synonyms: 3-(2-chlorophenyl)-1-(2,5-dimethoxybenzyl)-1-[3-(morpholin-4-yl)propyl]thiourea
Smiles: COc1ccc(c(c1)CN(C(=S)Nc1ccccc1Cl)CCCN1CCOCC1)OC

STK630895
Synonyms: (4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(thiophen-2-yl)pyrrolidine-2,3-dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(c2cccs2)/C(=C(/c2ccc(cc2)F)\O)/C(=O)C1=O

STK630896
Synonyms: 3-[(2-methoxy-4-{(Z)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}phenoxy)methyl]benzoicacid
Smiles: COc1cc(ccc1OCc1cccc(c1)C(=O)O)/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)C)S

STK630899
Synonyms: (4E)-1-[3-(dimethylamino)propyl]-5-(2-ethoxyphenyl)-4-{hydroxy[3-methyl-4-(propan-2-yloxy)phenyl]methylidene}pyrrolidine-2,3-dione
Smiles: CCOc1ccccc1C1N(CCCN(C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC(C)C)/O

STK630900
Synonyms: 5-phenyl-4-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1c1cccnc1)c1ccccc1

STK630901
Synonyms: N-{1-[(4-fluorobenzyl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl}-3-hydroxyquinoxaline-1(2H)-carboxamide
Smiles: CSCCC(C(=O)NCc1ccc(cc1)F)NC(=O)N1CC(=Nc2c1cccc2)O

STK630905
Synonyms: (5Z)-3-(2-phenylethyl)-5-(quinoxalin-5-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C\c2cccc3c2nccn3)/C(=O)N1CCc1ccccc1

STK630908
Synonyms: N-{(2E)-4-(thiophen-2-yl)-2-[(thiophen-2-ylcarbonyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}furan-2-carboxamide
Smiles: O=C(c1ccco1)Nc1s/c(=N/C(=O)c2cccs2)/[nH]c1c1cccs1

STK630909
Synonyms: N-(3-chloro-4-methoxyphenyl)-5-(4,4-dimethyl-1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxybenzenesulfonamide
Smiles: COc1ccc(cc1S(=O)(=O)Nc1ccc(c(c1)Cl)OC)N1C(=O)C(CS1(=O)=O)(C)C

STK630913
Synonyms: (5Z)-3-[2-(4-methoxyphenyl)ethyl]-5-(quinoxalin-5-ylmethylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1)CCN1C(=S)S/C(=C\c2cccc3c2nccn3)/C1=O

STK630915
Synonyms: ethyl2-methyl-5-propyl-7-(3,4,5-trimethoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Smiles: CCOC(=O)C1=C(CCC)N=c2n(C1c1cc(OC)c(c(c1)OC)OC)nc([nH]2)C

STK630916
Synonyms: 3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-8-(pyrrolidinium-1-ylmethyl)-2H-chromen-7-olate
Smiles: COc1cc(ccc1OC)c1c(=O)oc2c(c1C)ccc(c2C[NH+]1CCCC1)[O-]

STK630917
Synonyms: (4E)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1C)/C(=C\1/C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)c1noc(c1)C)/O

STK630920
Synonyms: ethyl[3-(pyridin-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate
Smiles: CCOC(=O)CC1=Nn2c(SC1)nnc2c1cccnc1

STK630923
Synonyms: N-(1H-indol-5-yl)-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanediamide
Smiles: O=C(C(=O)NCc1c(C)nn(c1C)C)Nc1ccc2c(c1)cc[nH]2

STK630924
Synonyms: 5-(methylsulfanyl)-3-{[2-(morpholin-4-yl)ethyl]sulfanyl}-7,8,9,10-tetrahydro[1]benzothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
Smiles: CSc1nc2c3CCCCc3sc2c2n1c(SCCN1CCOCC1)nn2

STK630927
Synonyms: N~6~-(3,4-dimethoxyphenyl)-7H-purine-2,6-diamine
Smiles: COc1cc(ccc1OC)Nc1nc(N)nc2c1[nH]cn2

STK630928
Synonyms: 5-chloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
Smiles: Clc1ccc2c(c1)cc(o2)C(=O)NCc1onc(n1)c1ccccc1

STK630929
Synonyms: (2Z)-7-(azepanium-1-ylmethyl)-2-(1H-indol-3-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: O=C1/C(=C/c2c[nH]c3c2cccc3)/Oc2c1ccc(c2C[NH+]1CCCCCC1)[O-]

STK630930
Synonyms: 2-[3-(4-chlorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)Cl)NCCc1cnc[nH]1

STK630933
Synonyms: N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-2-(7-methoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamide
Smiles: COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)/N=c/1\sc2c([nH]1)cccc2

STK630934
Synonyms: 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
Smiles: OC1=Nc2c(C(C1)c1ccc(cc1)F)c(nn2c1nc(C)cc(n1)C)c1ccccc1

STK630935
Synonyms: 1,3,7-trimethyl-8-{4-[2-(morpholin-4-yl)ethoxy]phenyl}-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cc1cn2c(n1c1ccc(cc1)OCCN1CCOCC1)nc1c2c(=O)n(c(=O)n1C)C

STK630936
Synonyms: 5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccc(cc1)c1csc(n1)C1=C(O)CN(C1=N)c1cc(OC)c(c(c1)OC)OC

STK630937
Synonyms: 5-amino-N-(3-methoxybenzyl)-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Smiles: COc1cccc(c1)CNC(=O)c1nnn(c1N)c1cccc(c1)SC

STK630939
Synonyms: 3-{(4S)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl}-N-(4-methoxybenzyl)propanamide
Smiles: COc1ccc(cc1)CNC(=O)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cc(F)cc2

STK630941
Synonyms: 3-(4-chlorophenyl)-2-methyl-7-[2-oxo-2-(thiomorpholin-4-yl)ethoxy]-4H-chromen-4-one
Smiles: Clc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2)OCC(=O)N1CCSCC1

STK630942
Synonyms: 4-chloro-N-[(2Z)-4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2(3H)-ylidene]benzamide
Smiles: COc1ccc2c(c1)c(c1cs/c(=N\C(=O)c3ccc(cc3)Cl)/[nH]1)c(n2C)C

STK630944
Synonyms: N-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-3-phenyl-2,1-benzoxazole-5-carboxamide
Smiles: OCCNC(=O)CNC(=O)c1ccc2c(c1)c(on2)c1ccccc1

STK630945
Synonyms: 2-{4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butoxy}benzonitrile
Smiles: N#Cc1ccccc1OCCCCN1CCN(CC1)c1nsc2c1cccc2

STK630947
Synonyms: tert-butyl({trans-4-[(4-benzylpiperazin-1-yl)carbonyl]cyclohexyl}methyl)carbamate
Smiles: O=C(OC(C)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)N1CCN(CC1)Cc1ccccc1

STK630948
Synonyms: (5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-5-({[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}methylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(C)/C(=C/Nc2ccc(cc2)Cn2cncn2)/C(=O)N(C1=O)C1CCS(=O)(=O)C1

STK630949
Synonyms: methyl3-amino-2-carbamoyl-6-methyl-4-(pyridin-4-yl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
Smiles: COC(=O)C1=C(C)Nc2c(C1c1ccncc1)c(N)c(s2)C(=O)N

STK630950
Synonyms: 4-{(4E)-4-[(2,4-dimethylphenyl)imino]-8-ethoxy-1,3-dimethyl-4H-cyclohepta[c]furan-6-yl}phenol
Smiles: CCOc1cc(c/c(=N\c2ccc(cc2C)C)/c2c1c(C)oc2C)c1ccc(cc1)O

STK630952
Synonyms: 4-chloro-N-[(2Z)-2-[(cyclopropylcarbonyl)imino]-4-(4-methylphenyl)-2,3-dihydro-1,3-thiazol-5-yl]benzamide
Smiles: Cc1ccc(cc1)c1[nH]/c(=N/C(=O)C2CC2)/sc1NC(=O)c1ccc(cc1)Cl

STK630953
Synonyms: 1-(3,4-dimethoxybenzyl)-5-imino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dihydro-1H-pyrrol-3-ol
Smiles: COc1ccc(cc1)c1csc(n1)C1=C(O)CN(C1=N)Cc1ccc(c(c1)OC)OC

STK630954
Synonyms: 3-bromo-10-(2,2-dimethylpropanoyl)-8-(tetrahydrofuran-2-ylmethyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Smiles: Brc1ccc2c(c1)C=CC1N2C(C2C1C(=O)N(C2=O)CC1CCCO1)C(=O)C(C)(C)C

STK630956
Synonyms: N-({1-[(4-methoxyphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)OC