COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041123
Chemical Name: 2-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]naphthalen-1-olate
Smiles: CCOc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1ccc2c(c1[O-])cccc2)\C

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Molecular Weight: 498.5
Empirical Formula: C25H22N8O4

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.077
Rotatable bonds: 6
H-donors: 4
H-acceptors: 4
PSA: 171
Number of rings: 5

     

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