COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886086
Chemical Name: dimethyl5-({[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(NC(=O)CSc2nc3CC(C)(C)CC(=O)c3cc2C#N)cc(c1)C(=O)OC

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Molecular Weight: 481.53
Empirical Formula: C24H23N3O6S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.067
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 160
Number of rings: 3

     

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