COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886373
Chemical Name: 2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 546.01
Empirical Formula: C27H23ClF3N3O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.884
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 107
Number of rings: 4

     

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