COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548746
Chemical Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}methylidene]-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2CNc2ccccc2)c2nonc2N)cc(c1OCc1ccccc1F)Br

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Molecular Weight: 636.44
Empirical Formula: C27H23BrFN9O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.629
Rotatable bonds: 9
H-donors: 4
H-acceptors: 4
PSA: 167
Number of rings: 5

     

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