COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL183101
Chemical Name: 3-[({[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1COc1ccccc1

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Molecular Weight: 412.47
Empirical Formula: C20H20N4O4S

Physical State: Dry powder
Available Amount: 212 mg

Lipinsky:
logP: 4.065
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 131
Number of rings: 3

     

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