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Ligand

NameCHEMBL607222
Molecular formulaC54H54Br2N4O4
IUPAC name2-[(1S,9R,16S,18R,19R,20S,21S,29R,36S,38R,39R,40S)-35-phenacyl-10,30-dioxa-8,28-diaza-15,35-diazoniatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaen-15-yl]-1-phenylethanone;dibromide
Molecular weight982.858
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogPNone
Synonyms4,4'-Diphenacylcaracurinium V Dibromide
Inchi KeyKPOLUOXMVHJTQO-FQUJJUAESA-L
Inchi IDInChI=1S/C54H54N4O4.2BrH/c59-43(33-11-3-1-4-12-33)31-57-23-21-53-39-15-7-9-17-41(39)55-49(53)47-37(27-45(53)57)35(29-57)19-25-61-51(47)56-42-18-10-8-16-40(42)54-22-24-58(32-44(60)34-13-5-2-6-14-34)30-36-20-26-62-52(55)48(50(54)56)38(36)28-46(54)58;;/h1-20,37-38,45-52H,21-32H2;2*1H/q+2;;/p-2/t37-,38-,45-,46-,47+,48+,49-,50-,51+,52+,53+,54+,57?,58?;;/m0../s1
PubChem CID11389041
ChEMBLCHEMBL607222
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
174993Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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