E4031

Ligand id: 2605

Name: E4031

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 87.75
Molecular weight 401.18
XLogP 3.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide
Synonyms
E 4031 | E-4031
Database Links
CAS Registry No. 113558-89-7 (source: Scifinder)
ChEMBL Ligand CHEMBL327980
PubChem CID 3185
Search Google for chemical match using the InChIKey SRUISGSHWFJION-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SRUISGSHWFJION
Search UniChem for chemical match using the InChIKey SRUISGSHWFJION-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SRUISGSHWFJION
Wikipedia E-4031