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Ligand

NameCHEMBL249207
Molecular formulaC26H29BrClFN2O
IUPAC name(E)-3-(4-bromo-2-fluorophenyl)-1-[4-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]piperidin-1-yl]prop-2-en-1-one
Molecular weight519.883
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.2
SynonymsN/A
Inchi KeyAASVTSQCERCXGV-XBXARRHUSA-N
Inchi IDInChI=1S/C26H29BrClFN2O/c27-23-5-1-22(25(29)17-23)4-8-26(32)31-15-9-19(10-16-31)18-30-13-11-21(12-14-30)20-2-6-24(28)7-3-20/h1-8,17,19,21H,9-16,18H2/b8-4+
PubChem CID44444108
ChEMBLCHEMBL249207
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
503C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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