COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL182046
Chemical Name: 3-{[({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoicacid
Smiles: CCOc1cc(C)ccc1OCc1nnc(n1CC)SCC(=O)Nc1cccc(c1)C(=O)O

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Molecular Weight: 470.55
Empirical Formula: C23H26N4O5S

Physical State: Dry powder
Available Amount: 218 mg

Lipinsky:
logP: 4.879
Rotatable bonds: 11
H-donors: 2
H-acceptors: 5
PSA: 140
Number of rings: 3

     

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