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Ligand

NameCHEMBL30550
Molecular formulaC31H27F3N4O6
IUPAC nameN-[[6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]-1-benzofuran-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
Molecular weight608.574
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50219765
Inchi KeyBFOQDPGDCUSZAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H27F3N4O6/c32-31(33,34)22-7-8-28(40)37(16-22)17-27(39)35-15-24-13-19-5-6-20(14-26(19)44-24)29(41)36-11-9-23(10-12-36)38-25-4-2-1-3-21(25)18-43-30(38)42/h1-8,13-14,16,23H,9-12,15,17-18H2,(H,35,39)
PubChem CID44279997
ChEMBLCHEMBL30550
IUPHARN/A
BindingDB50219765
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22500Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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