COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097564
Chemical Name: 2-bromo-6-ethoxy-4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl4-methylbenzenesulfonate
Smiles: C=CCN1C(=S)S/C(=C\c2cc(Br)c(c(c2)OCC)OS(=O)(=O)c2ccc(cc2)C)/C1=O

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Molecular Weight: 554.51
Empirical Formula: C22H20BrNO5S3

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.108
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 138
Number of rings: 3

     

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