example 98 [WO2011020806]

Ligand id: 6540

Name: example 98 [WO2011020806]

Structure and Physico-chemical Properties

2D Structure
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 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-methyl-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-5-chloro-3-methylpyridine-2-carboxamide
Database Links
GtoPdb PubChem SID 178103154
PubChem CID 50991498
Search Google for chemical match using the InChIKey RAFVKOLBEOKYJW-SFHVURJKSA-N
Search Google for chemicals with the same backbone RAFVKOLBEOKYJW
Search UniChem for chemical match using the InChIKey RAFVKOLBEOKYJW-SFHVURJKSA-N
Search UniChem for chemicals with the same backbone RAFVKOLBEOKYJW
Comments
BACE2 inhibitor from the patent WO2011020806 [1].