COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568696
Chemical Name: 3-[(1E)-1-(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)ethyl]phenolate
Smiles: [O-]c1cccc(c1)/C(=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1[NH3+])/C

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Molecular Weight: 448.4
Empirical Formula: C20H16N8O5

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 0.793
Rotatable bonds: 4
H-donors: 4
H-acceptors: 5
PSA: 180
Number of rings: 5

     

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