COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056395
Chemical Name: 2-[(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=C(c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1[NH3+])N/N=C(/c1ccccc1[O-])\C

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Molecular Weight: 448.4
Empirical Formula: C20H16N8O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.411
Rotatable bonds: 4
H-donors: 4
H-acceptors: 5
PSA: 180
Number of rings: 5

     

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