COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK880729
Chemical Name: (5Z)-3-(2-chlorobenzyl)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1cc(ccc1OC)c1nn(cc1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1Cl)c1ccccc1

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Molecular Weight: 548.09
Empirical Formula: C28H22ClN3O3S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 5.836
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 113
Number of rings: 5

     

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