COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056906
Chemical Name: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-3-hydroxyphenolate
Smiles: [O-]c1ccc(c(c1)O)/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1[NH3+]

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Molecular Weight: 451.36
Empirical Formula: C18H13N9O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.016
Rotatable bonds: 4
H-donors: 5
H-acceptors: 6
PSA: 227
Number of rings: 4

     

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