COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051061
Chemical Name: methyl4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N

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Molecular Weight: 477.4
Empirical Formula: C20H15N9O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.884
Rotatable bonds: 3
H-donors: 3
H-acceptors: 6
PSA: 209
Number of rings: 4

     

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