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Ligand

NameCHEMBL64263
Molecular formulaC25H25NO8
IUPAC name(E)-but-2-enedioic acid;(11E)-11-(2-morpholin-4-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid
Molecular weight467.474
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyBJQRQDBCNLZGAL-PGXIONDUSA-N
Inchi IDInChI=1S/C21H21NO4.C4H4O4/c23-21(24)15-5-6-20-19(13-15)18(7-8-22-9-11-25-12-10-22)17-4-2-1-3-16(17)14-26-20;5-3(6)1-2-4(7)8/h1-7,13H,8-12,14H2,(H,23,24);1-2H,(H,5,6)(H,7,8)/b18-7+;2-1+
PubChem CID44305721
ChEMBLCHEMBL64263
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25378Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
25377Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

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