COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK885858
Chemical Name: methyl{[3-cyano-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 472.56
Empirical Formula: C24H28N2O6S

Physical State: Dry powder
Available Amount: 17 mg

Lipinsky:
logP: 2.941
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 132
Number of rings: 3

     

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