COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042554
Chemical Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1ccc(cc1/C=N/NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)OC

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Molecular Weight: 479.41
Empirical Formula: C20H17N9O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.338
Rotatable bonds: 5
H-donors: 3
H-acceptors: 6
PSA: 201
Number of rings: 4

     

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