COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051049
Chemical Name: {[4-ammonio-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: CCOc1ccc(cc1)c1nnc(n1[NH3+])SCC(=O)[O-]

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Molecular Weight: 294.33
Empirical Formula: C12H14N4O3S

Physical State: Dry powder
Available Amount: 173 mg

Lipinsky:
logP: 2.686
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 133
Number of rings: 2

     

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