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Ligand

NameCHEMBL2111531
Molecular formulaC46H56N4O2+2
IUPAC name3-[(1Z)-1-benzylidene-3-oxoisoindol-2-yl]propyl-[6-[3-[(1Z)-1-benzylidene-3-oxoisoindol-2-yl]propyl-dimethylazaniumyl]hexyl]-dimethylazanium
Molecular weight696.98
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP8.2
SynonymsHexamethylenebis[[3-[3-[(Z)-benzylidene]-1-oxoisoindoline-2-yl]propyl]dimethylaminium]
BDBM50408910
CHEMBL284393
Inchi KeyICRGOSHVMLLJOQ-ZWHQLJQGSA-N
Inchi IDInChI=1S/C46H56N4O2/c1-49(2,33-19-29-47-43(35-37-21-9-7-10-22-37)39-25-13-15-27-41(39)45(47)51)31-17-5-6-18-32-50(3,4)34-20-30-48-44(36-38-23-11-8-12-24-38)40-26-14-16-28-42(40)46(48)52/h7-16,21-28,35-36H,5-6,17-20,29-34H2,1-4H3/q+2/b43-35-,44-36-
PubChem CID10748143
ChEMBLCHEMBL284393
IUPHARN/A
BindingDB50408910
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
130046Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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