example 92 [WO2012095521]

Ligand id: 7856

Name: example 92 [WO2012095521]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 89.6
Molecular weight 394.1
XLogP 2.2
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-[(3R)-5-amino-3-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloro-3-methylpyridine-2-carboxamide
Database Links
PubChem CID 50913216
Search Google for chemical match using the InChIKey NQNLROFWOGGJGK-SFHVURJKSA-N
Search Google for chemicals with the same backbone NQNLROFWOGGJGK
Search UniChem for chemical match using the InChIKey NQNLROFWOGGJGK-SFHVURJKSA-N
Search UniChem for chemicals with the same backbone NQNLROFWOGGJGK
Comments
This compound is a BACE2 inhibitor and is example 92 from Novartis' patent WO2012095521, which has 274 examples in the result tables. See also the BACE2 patent review [2].