compound 36j [PMID: 21536438]

Ligand id: 5755

Name: compound 36j [PMID: 21536438]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 116.59
Molecular weight 473.13
XLogP 3.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-chloro-4-[(6-{[(1S,5S)-8-(cyclopropanesulfonyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy}-5-methylpyrimidin-4-yl)amino]benzonitrile
Database Links
GtoPdb PubChem SID 178102380
PubChem CID 54587590
Search Google for chemical match using the InChIKey JONDVPWMQDOELC-HOTGVXAUSA-N
Search Google for chemicals with the same backbone JONDVPWMQDOELC
Search UniChem for chemical match using the InChIKey JONDVPWMQDOELC-HOTGVXAUSA-N
Search UniChem for chemicals with the same backbone JONDVPWMQDOELC