COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171168
Chemical Name: (4E)-4-[4-(benzyloxy)-2,3-dibromo-5-methoxybenzylidene]-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C/2\C(=NN(C2=O)c2cccc(c2)C(F)(F)F)C)c(c(c1OCc1ccccc1)Br)Br

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Molecular Weight: 624.25
Empirical Formula: C26H19Br2F3N2O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 7.138
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 4

     

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