COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK219812
Chemical Name: (4E)-4-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-2-(4-chlorophenyl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(/C=C\2/C(=O)N(N=C2C(F)(F)F)c2ccc(cc2)Cl)cc(c1O)Br

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Molecular Weight: 489.68
Empirical Formula: C19H13BrClF3N2O3

Physical State: Dry powder
Available Amount: 107 mg

Lipinsky:
logP: 7.09
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 62
Number of rings: 3

     

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