COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826555
Chemical Name: 4-(1,3-benzodioxol-5-yl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc2c(c1)OCO2

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Molecular Weight: 340.4
Empirical Formula: C18H16N2O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 1.763
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 4

     

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