COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046355
Chemical Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-5-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}methylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(c1OCc1cccc(c1)C)Br

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Molecular Weight: 672.59
Empirical Formula: C26H26BrN9O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.738
Rotatable bonds: 11
H-donors: 3
H-acceptors: 4
PSA: 218
Number of rings: 5

     

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