COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172013
Chemical Name: (4E)-4-[4-(benzyloxy)-2-bromo-5-methoxybenzylidene]-2-(2-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2Cl)C)c(cc1OCc1ccccc1)Br

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Molecular Weight: 511.8
Empirical Formula: C25H20BrClN2O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 6.542
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 51
Number of rings: 4

     

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