COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560139
Chemical Name: 2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ium-4-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-4-chlorophenolate
Smiles: Clc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1C[NH+]1CCOCC1)c1nonc1N)[O-]

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Molecular Weight: 447.84
Empirical Formula: C17H18ClN9O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.586
Rotatable bonds: 5
H-donors: 4
H-acceptors: 4
PSA: 173
Number of rings: 4

     

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