COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK799044
Chemical Name: (5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-octyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)/C1=O

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Molecular Weight: 616.25
Empirical Formula: C34H34ClN3O2S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 9.708
Rotatable bonds: 10
H-donors: 0
H-acceptors: 2
PSA: 104
Number of rings: 5

     

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