disprocynium24   Click here for help

GtoPdb Ligand ID: 8826

Synonyms: 1,1'-Diisopropyl-2,4'-cyanine
Compound class: Synthetic organic
Comment: Disprocynium24 inhibits extraneuronal monoamine transport, facilitated by the organic cation transporter 3 (OCT3; SLC22A3) [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 3.88
Molecular weight 355.22
XLogP 8.68
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC([n+]1ccc(c2c1cccc2)C=c1ccc2c(n1C(C)C)cccc2)C
Isomeric SMILES CC([n+]1ccc(c2c1cccc2)/C=c\1/ccc2c(n1C(C)C)cccc2)C
InChI InChI=1S/C25H27N2/c1-18(2)26-16-15-21(23-10-6-8-12-25(23)26)17-22-14-13-20-9-5-7-11-24(20)27(22)19(3)4/h5-19H,1-4H3/q+1
InChI Key TYFOKKOWQOKKCH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2E)-1-propan-2-yl-2-[(1-propan-2-ylquinolin-1-ium-4-yl)methylidene]quinoline
Synonyms Click here for help
1,1'-Diisopropyl-2,4'-cyanine
Database Links Click here for help
ChEMBL Ligand CHEMBL339858
GtoPdb PubChem SID 252827483
PubChem CID 10004133
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