COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK516481
Chemical Name: (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-({3-[4-(ethylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: COc1ccc(cc1OC)CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)S(=O)(=O)CC)c2ccccc2)/C1=O

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Molecular Weight: 619.79
Empirical Formula: C31H29N3O5S3

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.556
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 156
Number of rings: 5

     

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