COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840916
Chemical Name: 2-(methylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)C(C)C

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Molecular Weight: 338.47
Empirical Formula: C20H22N2OS

Physical State: Dry powder
Available Amount: 364 mg

Lipinsky:
logP: 3.24
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 78
Number of rings: 3

     

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