COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886011
Chemical Name: N-(3-chloro-2-methylphenyl)-2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)NC2=C(C1c1ccc(cc1)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 522.07
Empirical Formula: C28H28ClN3O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.506
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 116
Number of rings: 4

     

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