COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056536
Chemical Name: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-3-hydroxyphenolate
Smiles: [O-]c1ccc(c(c1)O)/C=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1[NH3+]

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Molecular Weight: 450.37
Empirical Formula: C19H14N8O6

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 1.262
Rotatable bonds: 5
H-donors: 5
H-acceptors: 6
PSA: 200
Number of rings: 5

     

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