COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK827025
Chemical Name: 2-[(2-chlorobenzyl)sulfanyl]-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCOc1ccccc1C1C(=C(SCc2ccccc2Cl)NC2=C1C(=O)CCC2)C#N

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Molecular Weight: 450.99
Empirical Formula: C25H23ClN2O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.869
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 4

     

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