COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826345
Chemical Name: 4-({[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetyl}amino)benzoicacid
Smiles: N#Cc1cc2C(=O)CC(Cc2nc1SCC(=O)Nc1ccc(cc1)C(=O)O)(C)C

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Molecular Weight: 409.47
Empirical Formula: C21H19N3O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.265
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 3

     

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