COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046385
Chemical Name: 4-[(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]-2-bromo-6-ethoxyphenolate
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2C[NH+]2CCOCC2)c2nonc2N)cc(c1[O-])Br

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Molecular Weight: 536.35
Empirical Formula: C19H22BrN9O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.69
Rotatable bonds: 7
H-donors: 4
H-acceptors: 5
PSA: 183
Number of rings: 4

     

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