COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK684943
Chemical Name: 2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Smiles: N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)C2=C(C31C(=O)Nc1c3cccc1)C(=O)CC(C2)(C)C

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Molecular Weight: 608.67
Empirical Formula: C29H23F3N6O2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.5
Rotatable bonds: 3
H-donors: 3
H-acceptors: 2
PSA: 178
Number of rings: 6

     

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