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Ligand

NameCHEMBL1774516
Molecular formulaC18H20F3NO2
IUPAC name2,2,2-trifluoro-N-[2-(7-propan-2-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide
Molecular weight339.358
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50343605
2,2,2-Trifluoro-N-[2-(7-isopropyl-1,6-dihydro-2H-indeno-[5,4-b]furan-8-yl)ethyl]acetamide
Inchi KeyAGOKJHZXFUZZRR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20F3NO2/c1-10(2)14-9-11-3-4-15-13(6-8-24-15)16(11)12(14)5-7-22-17(23)18(19,20)21/h3-4,10H,5-9H2,1-2H3,(H,22,23)
PubChem CID53237949
ChEMBLCHEMBL1774516
IUPHARN/A
BindingDB50343605
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5077Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
5078Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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