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Ligand

NameCHEMBL412718
Molecular formulaC56H62N4O6+2
IUPAC name(9R,16S,18R,19R,20S,29R,36S,38R,39R,40S)-15,35-bis[(3,4-dimethoxyphenyl)methyl]-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-octaene
Molecular weight887.134
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP6.8
SynonymsCHEMBL1185419
BDBM50093898
Inchi KeyCECAKDDCVJSYQL-DQRYCHJHSA-N
Inchi IDInChI=1S/C56H62N4O6/c1-61-43-15-13-33(25-45(43)63-3)29-59-21-19-55-39-9-5-7-11-41(39)57-51(55)49-37(27-47(55)59)35(31-59)17-23-65-53(49)58-42-12-8-6-10-40(42)56-20-22-60(30-34-14-16-44(62-2)46(26-34)64-4)32-36-18-24-66-54(57)50(52(56)58)38(36)28-48(56)60/h5-18,25-26,37-38,47-54H,19-24,27-32H2,1-4H3/q+2/t37-,38-,47-,48-,49+,50+,51-,52-,53+,54+,55?,56?,59?,60?/m0/s1
PubChem CID44319263
ChEMBLN/A
IUPHARN/A
BindingDB50093898
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
39758Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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