COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK166802
Chemical Name: 2-[(2-chlorobenzyl)sulfanyl]-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2Cl)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CCC2

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Molecular Weight: 497.01
Empirical Formula: C26H25ClN2O4S

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 3.861
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 105
Number of rings: 4

     

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