COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL417536
Chemical Name: ethyl4-[({[5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nnc([nH]1)c1cc(OC)cc(c1)OC

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Molecular Weight: 442.5
Empirical Formula: C21H22N4O5S

Physical State: Dry powder
Available Amount: 194 mg

Lipinsky:
logP: 5.2
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 140
Number of rings: 3

     

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