COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK827107
Chemical Name: 2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)Cl)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C

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Molecular Weight: 546.9
Empirical Formula: C26H22Cl3N3O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.568
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 107
Number of rings: 4

     

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