COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050436
Chemical Name: 2-[(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]-4-chlorophenolate
Smiles: Clc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1[NH3+])[O-]

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Molecular Weight: 496.87
Empirical Formula: C20H17ClN10O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.906
Rotatable bonds: 6
H-donors: 7
H-acceptors: 4
PSA: 216
Number of rings: 4

     

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