COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428739
Chemical Name: N-(4-bromo-2,3-dimethylphenyl)-2-(2-methoxy-4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetamide
Smiles: C=CCN1C(=S)S/C(=C\c2ccc(c(c2)OC)OCC(=O)Nc2ccc(c(c2C)C)Br)/C1=O

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Molecular Weight: 547.49
Empirical Formula: C24H23BrN2O4S2

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 5.285
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 3

     

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