COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK788677
Chemical Name: 2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Smiles: COc1ccc(cc1)C1C(=C(SCC(=O)NCCc2ccc(c(c2)OC)OC)NC2=C1C(=O)CC(C2)(C)C)C#N

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Molecular Weight: 561.7
Empirical Formula: C31H35N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.101
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 134
Number of rings: 4

     

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