COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826490
Chemical Name: methyl2-[({[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccccc2C(=O)OC)NC2=C1C(=O)CC(C2)(C)C)C#N

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Molecular Weight: 531.63
Empirical Formula: C29H29N3O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.891
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 142
Number of rings: 4

     

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