COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133078
Chemical Name: (4E)-4-[4-(2,4-dinitrophenoxy)-3-ethoxybenzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C/1\C(=NN(C1=O)c1ccccc1)C

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Molecular Weight: 488.46
Empirical Formula: C25H20N4O7

Physical State: Dry powder
Available Amount: 345 mg

Lipinsky:
logP: 3.667
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 142
Number of rings: 4

     

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