COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL417524
Chemical Name: methyl2-[({[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COc1cc(OC)cc(c1)c1nnc(n1CC)SCC(=O)Nc1ccccc1C(=O)OC

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Molecular Weight: 456.52
Empirical Formula: C22H24N4O5S

Physical State: Dry powder
Available Amount: 234 mg

Lipinsky:
logP: 5.18
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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