COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK788617
Chemical Name: N-(5-chloro-2-methoxyphenyl)-2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)C1C(=C(SCC(=O)Nc2cc(Cl)ccc2OC)NC2=C1C(=O)CC(C2)(C)C)C#N

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Molecular Weight: 538.07
Empirical Formula: C28H28ClN3O4S

Physical State: Dry powder
Available Amount: 374 mg

Lipinsky:
logP: 5.035
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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