COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041552
Chemical Name: {4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenoxy}acetate
Smiles: COc1cccc(c1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C/c1ccc(cc1)OCC(=O)[O-]

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Molecular Weight: 478.42
Empirical Formula: C21H18N8O6

Physical State: Dry powder
Available Amount: 255 mg

Lipinsky:
logP: -0.298
Rotatable bonds: 5
H-donors: 4
H-acceptors: 6
PSA: 197
Number of rings: 4

     

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