compound 7 [PMID: 8496919]

Ligand id: 3100

Name: compound 7 [PMID: 8496919]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 24.92
Molecular weight 312.26
XLogP 5.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(pyridin-3-ylmethyl)[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]amine
Database Links
ChEMBL Ligand CHEMBL290534
PubChem CID 10358175
Search Google for chemical match using the InChIKey LOBKJLMNXXPMNQ-OPBVARBZSA-N
Search Google for chemicals with the same backbone LOBKJLMNXXPMNQ
Search UniChem for chemical match using the InChIKey LOBKJLMNXXPMNQ-OPBVARBZSA-N
Search UniChem for chemicals with the same backbone LOBKJLMNXXPMNQ