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Ligand

NameCHEMBL405305
Molecular formulaC60H60Cl2N6O6
IUPAC name2-[3-[(15R,35R)-35-[3-(1,3-dioxoisoindol-2-yl)propyl]-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]propyl]isoindole-1,3-dione;dichloride
Molecular weight1032.08
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyCBHZJANCUAMTHB-JPEFHOBGSA-L
Inchi IDInChI=1S/C60H60N6O6.2ClH/c67-53-37-11-1-2-12-38(37)54(68)61(53)23-9-25-65-27-21-59-43-15-5-7-17-45(43)63-51(59)49-41(31-47(59)65)35(33-65)19-29-71-57(49)64-46-18-8-6-16-44(46)60-22-28-66(26-10-24-62-55(69)39-13-3-4-14-40(39)56(62)70)34-36-20-30-72-58(63)50(52(60)64)42(36)32-48(60)66;;/h1-8,11-20,41-42,47-52,57-58H,9-10,21-34H2;2*1H/q+2;;/p-2/t41?,42?,47?,48?,49?,50?,51?,52?,57?,58?,59?,60?,65-,66-;;/m0../s1
PubChem CID44345694
ChEMBLCHEMBL405305
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
37894Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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