COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042805
Chemical Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: COc1cc(/C=N/NC(=O)c2nnn(c2c2ccc(cc2)[N+](=O)[O-])c2nonc2N)cc(c1OC)OC

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Molecular Weight: 509.44
Empirical Formula: C21H19N9O7

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 0.211
Rotatable bonds: 4
H-donors: 3
H-acceptors: 7
PSA: 210
Number of rings: 4

     

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