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Ligand

NameCHEMBL33586
Molecular formulaC35H43BrN2O2
IUPAC nameN-[1-benzyl-1-(cyclooctylmethyl)piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;bromide
Molecular weight603.645
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyLTCVMVRIHVZLDY-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H42N2O2.BrH/c38-35(34-30-17-9-11-19-32(30)39-33-20-12-10-18-31(33)34)36-29-21-23-37(24-22-29,26-28-15-7-4-8-16-28)25-27-13-5-2-1-3-6-14-27;/h4,7-12,15-20,27,29,34H,1-3,5-6,13-14,21-26H2;1H
PubChem CID44281427
ChEMBLCHEMBL33586
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
195811C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355
195812C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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