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Ligand

NameMLS000324754
Molecular formulaC18H9F6NO3
IUPAC nameethyl 6,7,8-trifluoro-4-oxo-1-(2,3,4-trifluorophenyl)quinoline-3-carboxylate
Molecular weight401.264
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM95922
cid_1716470
6,7,8-trifluoro-4-oxo-1-(2,3,4-trifluorophenyl)-3-quinolinecarboxylic acid ethyl ester
ethyl 6,7,8-tris(fluoranyl)-4-oxidanylidene-1-[2,3,4-tris(fluoranyl)phenyl]quinoline-3-carboxylate
SMR000163410
[ Show all ]
Inchi KeyAIGQYWRPXHOOPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H9F6NO3/c1-2-28-18(27)8-6-25(11-4-3-9(19)12(21)14(11)23)16-7(17(8)26)5-10(20)13(22)15(16)24/h3-6H,2H2,1H3
PubChem CID1716470
ChEMBLCHEMBL1882999
IUPHARN/A
BindingDBN/A
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463623Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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