COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK798297
Chemical Name: 11-{(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}undecanoicacid
Smiles: OC(=O)CCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)/C1=O

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Molecular Weight: 688.31
Empirical Formula: C37H38ClN3O4S2

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 9.199
Rotatable bonds: 15
H-donors: 1
H-acceptors: 4
PSA: 142
Number of rings: 5

     

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