COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053934
Chemical Name: 4-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(2-carbamoylphenyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-3-hydroxyphenolate
Smiles: [O-]c1ccc(c(c1)O)/C=N/NC(=O)c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1[NH3+]

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Molecular Weight: 478.43
Empirical Formula: C20H18N10O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.221
Rotatable bonds: 7
H-donors: 8
H-acceptors: 5
PSA: 237
Number of rings: 4

     

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