COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133037
Chemical Name: (4E)-4-[3-bromo-4-(2,4-dinitrophenoxy)-5-ethoxybenzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Br

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Molecular Weight: 567.35
Empirical Formula: C25H19BrN4O7

Physical State: Dry powder
Available Amount: 342 mg

Lipinsky:
logP: 4.583
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 142
Number of rings: 4

     

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