COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL445322
Chemical Name: methyl4-chloro-3-[({[5-(2-ethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOc1ccccc1c1nnc(n1CC)SCC(=O)Nc1cc(ccc1Cl)C(=O)OC

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Molecular Weight: 474.97
Empirical Formula: C22H23ClN4O4S

Physical State: Dry powder
Available Amount: 380 mg

Lipinsky:
logP: 5.209
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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