COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL426825
Chemical Name: (4E)-4-[4-(benzyloxy)-3-ethoxybenzylidene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(ccc1OCc1ccccc1)/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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Molecular Weight: 519.56
Empirical Formula: C31H25N3O5

Physical State: Dry powder
Available Amount: 405 mg

Lipinsky:
logP: 6.124
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 96
Number of rings: 5

     

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