COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK880680
Chemical Name: (5Z)-3-(butan-2-yl)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCC(N1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)Cl)c2ccccc2)/C1=O)C

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Molecular Weight: 454.02
Empirical Formula: C23H20ClN3OS2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.903
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 95
Number of rings: 4

     

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