Bioactive Compound Details

BioIDbio198600
NameNone
ChEMBL IDCHEMBL74288
Molecular FormulaC22H36Br2N4
Molecular Weight516.37
Molecular Weight (Monoisotopic)356.2929
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms1,12-Bis(2-Aminopyridinium)Dodecane Dibromide
SmilesNc1cccc[n+]1CCCCCCCCCCCC[n+]1ccccc1N.[Br-].[Br-]
InchiInChI=1S/C22H34N4.2BrH/c23-21-15-9-13-19-25(21)17-11-7-5-3-1-2-4-6-8-12-18-26-20-14-10-16-22(26)24;;/h9-10,13-16,19-20,23-24H,1-8,11-12,17-18H2;2*1H
Inchi KeyCYWFZWJPTAKSLA-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets7.0
Bioactivities7.0
Np Likeness Score-0.1
Records Key['2e', 'H2', '12']
Records Name['1-[12-(2-amino-1-pyridiniumyl)dodecyl]-2-pyridiniumamine dibromide', '1,1-(1,12-dodecanediyl)bis-(pyridin-2-(1H)-imine) dihydrobromide', '1,12-bis(2-aminopyridinium)dodecane dibromide']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure