COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL354732
Chemical Name: dimethyl2-[({[5-(5-bromo-2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzene-1,4-dicarboxylate
Smiles: C=CCn1c(SCC(=O)Nc2cc(ccc2C(=O)OC)C(=O)OC)nnc1c1cc(Br)ccc1O

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Molecular Weight: 561.41
Empirical Formula: C23H21BrN4O6S

Physical State: Dry powder
Available Amount: 247 mg

Lipinsky:
logP: 7.421
Rotatable bonds: 11
H-donors: 2
H-acceptors: 6
PSA: 157
Number of rings: 3

     

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