compound 58 [PMID: 21273063]

Ligand id: 5748

Name: compound 58 [PMID: 21273063]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 93.66
Molecular weight 436.13
XLogP 3.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-chloro-2-{4-[(1R,2S)-2-{2-[(5-methanesulfonylpyridin-2-yl)oxy]ethyl}cyclopropyl]piperidin-1-yl}pyrimidine
Database Links
ChEMBL Ligand CHEMBL1771100
GtoPdb PubChem SID 178102374
PubChem CID 53235534
Search Google for chemical match using the InChIKey XFJBGINZIMNZBW-CRAIPNDOSA-N
Search Google for chemicals with the same backbone XFJBGINZIMNZBW
Search UniChem for chemical match using the InChIKey XFJBGINZIMNZBW-CRAIPNDOSA-N
Search UniChem for chemicals with the same backbone XFJBGINZIMNZBW