COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK957361
Chemical Name: (4E)-4-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-5-methyl-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(/C=C/2\C(=NN(C2=O)c2cccc(c2)C(F)(F)F)C)c(cc1O)Br

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Molecular Weight: 469.26
Empirical Formula: C20H16BrF3N2O3

Physical State: Dry powder
Available Amount: 25 mg

Lipinsky:
logP: 5.053
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 62
Number of rings: 3

     

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