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Ligand

NameCHEMBL286084
Molecular formulaC22H20N2O4
IUPAC name1-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight376.412
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50219510
Inchi KeyBTLLWMUYMPGEPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20N2O4/c25-21(16-5-6-20-15(13-16)9-12-27-20)23-10-7-18(8-11-23)24-19-4-2-1-3-17(19)14-28-22(24)26/h1-6,9,12-13,18H,7-8,10-11,14H2
PubChem CID44278986
ChEMBLCHEMBL286084
IUPHARN/A
BindingDB50219510
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
32440Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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