COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040904
Chemical Name: {4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)ammonio]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]phenoxy}acetate
Smiles: [O-]C(=O)COc1ccc(cc1)/C=N/NC(=O)c1nnn(c1C[NH+](C1CCCCC1)C)c1nonc1N

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Molecular Weight: 497.51
Empirical Formula: C22H27N9O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.299
Rotatable bonds: 6
H-donors: 4
H-acceptors: 5
PSA: 190
Number of rings: 4

     

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