COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL445335
Chemical Name: methyl3-[({[5-(2-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOc1ccccc1c1nnc([nH]1)SCC(=O)Nc1cccc(c1)C(=O)OC

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Molecular Weight: 412.47
Empirical Formula: C20H20N4O4S

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 4.389
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 131
Number of rings: 3

     

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