COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK551448
Chemical Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2c2cccc(c2)[N+](=O)[O-])c2nonc2N)cc(c1OCc1ccc(cc1)F)Br

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Molecular Weight: 666.42
Empirical Formula: C27H21BrFN9O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.237
Rotatable bonds: 8
H-donors: 3
H-acceptors: 6
PSA: 201
Number of rings: 5

     

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