COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK798424
Chemical Name: 2-{(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesulfonicacid
Smiles: S=C1S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)/C(=O)N1CCS(=O)(=O)O

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Saltdata: 1/3CH3COOH
Molecular Weight: 612.15
Empirical Formula: C28H22ClN3O5S3

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 4.19
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 167
Number of rings: 5

     

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