example 98 [WO2011020806]

Ligand id: 6540

Name: example 98 [WO2011020806]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 89.6
Molecular weight 376.11
XLogP 1.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
beta-secretase 2 Hs Inhibitor Inhibition 9.0 pIC50 - 2
pIC50 9.0 (IC50 1x10-9 M) [2]