COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568427
Chemical Name: 2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-6-methoxyphenolate
Smiles: COc1cccc(c1[O-])/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1[NH3+]

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Molecular Weight: 465.39
Empirical Formula: C19H15N9O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.498
Rotatable bonds: 4
H-donors: 4
H-acceptors: 6
PSA: 216
Number of rings: 4

     

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