COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK160399
Chemical Name: (4E)-4-(3-bromo-4,5-diethoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1OCC)Br

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Molecular Weight: 429.31
Empirical Formula: C21H21BrN2O3

Physical State: Dry powder
Available Amount: 144 mg

Lipinsky:
logP: 4.956
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 3

     

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