COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826237
Chemical Name: 2-[(4-chlorobenzyl)sulfanyl]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)Cl)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

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Molecular Weight: 452.96
Empirical Formula: C24H21ClN2O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.39
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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