COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051602
Chemical Name: 5-[(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]-2-methoxyphenolate
Smiles: COc1ccc(cc1[O-])/C=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1[NH3+]

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Molecular Weight: 464.4
Empirical Formula: C20H16N8O6

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: -0.009
Rotatable bonds: 5
H-donors: 4
H-acceptors: 6
PSA: 189
Number of rings: 5

     

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