COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK702353
Chemical Name: (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1OC)CCN1C(=S)S/C(=C\c2cn(nc2c2cc(C)ccc2C)c2ccccc2)/C1=O

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Molecular Weight: 555.72
Empirical Formula: C31H29N3O3S2

Physical State: Dry powder
Available Amount: 361 mg

Lipinsky:
logP: 6.773
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 113
Number of rings: 5

     

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