COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK089534
Chemical Name: 4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl2-nitrobenzenesulfonate
Smiles: C=CCN1C(=S)S/C(=C\c2ccc(cc2)OS(=O)(=O)c2ccccc2[N+](=O)[O-])/C1=O

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Molecular Weight: 462.53
Empirical Formula: C19H14N2O6S3

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 3.59
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 175
Number of rings: 3

     

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