compound 1 [PMID: 8496942]

Ligand id: 3109

Name: compound 1 [PMID: 8496942]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 15
Topological polar surface area 15.6
Molecular weight 412.38
XLogP 8.4
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-N-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-N-methyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]methenimidamide
Database Links
ChEMBL Ligand CHEMBL158588
PubChem CID 10409462
Search Google for chemical match using the InChIKey PYSOMVKWLNTIIA-IMGWONPXSA-N
Search Google for chemicals with the same backbone PYSOMVKWLNTIIA
Search UniChem for chemical match using the InChIKey PYSOMVKWLNTIIA-IMGWONPXSA-N
Search UniChem for chemicals with the same backbone PYSOMVKWLNTIIA