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Ligand

NameCHEMBL324318
Molecular formulaC50H58Br2N4O2
IUPAC name(15S,35S)-15,35-di(cyclohex-2-en-1-yl)-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;dibromide
Molecular weight906.848
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyCJCBNOWBNHRKGS-IEOMVSAVSA-L
Inchi IDInChI=1S/C50H58N4O2.2BrH/c1-3-11-33(12-4-1)53-23-21-49-37-15-7-9-17-39(37)51-45(49)43-35(27-41(49)53)31(29-53)19-25-55-47(43)52-40-18-10-8-16-38(40)50-22-24-54(34-13-5-2-6-14-34)30-32-20-26-56-48(51)44(46(50)52)36(32)28-42(50)54;;/h3,5,7-11,13,15-20,33-36,41-48H,1-2,4,6,12,14,21-30H2;2*1H/q+2;;/p-2/t33?,34?,35?,36?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53-,54-;;/m0../s1
PubChem CID44345711
ChEMBLCHEMBL324318
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
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GLASS IDNameUniProtGeneSpeciesLength
43195Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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