COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839410
Chemical Name: methyl{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccccc1C

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Molecular Weight: 368.46
Empirical Formula: C20H20N2O3S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 2.929
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 3

     

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