disprocynium24

Ligand id: 8826

Name: disprocynium24

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 7.12
Molecular weight 355.22
XLogP 8.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2E)-1-propan-2-yl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline
Synonyms
1,1'-Diisopropyl-2,4'-cyanine
Database Links
ChEMBL Ligand CHEMBL339858
PubChem CID 10004133
Search Google for chemical match using the InChIKey TYFOKKOWQOKKCH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TYFOKKOWQOKKCH
Search UniChem for chemical match using the InChIKey TYFOKKOWQOKKCH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone TYFOKKOWQOKKCH
Comments
Disprocynium24 inhibits extraneuronal monoamine transport, facilitated by the organic cation transporter 3 (OCT3; SLC22A3) [1-2].