COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK956792
Chemical Name: (4E)-4-[3,5-dibromo-2-(prop-2-en-1-yloxy)benzylidene]-2-(3,4-dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: C=CCOc1c(cc(cc1Br)Br)/C=C/1\C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)C

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Molecular Weight: 545.06
Empirical Formula: C20H14Br2Cl2N2O2

Physical State: Dry powder
Available Amount: 31 mg

Lipinsky:
logP: 6.868
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 41
Number of rings: 3

     

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