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CHEBI:48658 - 2-[5-(4-fluorophenoxy)-4'-(trifluoromethyl)biphenyl-3-yl]pentanoic acid

ChEBI IDCHEBI:48658
ChEBI Name2-[5-(4-fluorophenoxy)-4'-(trifluoromethyl)biphenyl-3-yl]pentanoic acid
Stars
Last Modified27 April 2015
Submitterhcourrier
DownloadsMolfile
FormulaC24H20F4O3
Net Charge0
Average Mass432.413
Monoisotopic Mass432.13486
SMILESCCCC(C(=O)O)c1cc(Oc2ccc(F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H20F4O3/c1-2-3-22(23(29)30)17-12-16(15-4-6-18(7-5-15)24(26,27)28)13-21(14-17)31-20-10-8-19(25)9-11-20/h4-14,22H,2-3H2,1H3,(H,29,30)
InChIKeyKAWUMBNUWGJBOH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
gamma-secretase modulator  A modulator of γ-secretase, one of the three endopeptidases that are specific for amyloid protein precursor and which have been identified based upon the region of the amyloid protein precursor which they cleave.
ChEBI Ontology
Outgoing Relation(s)
2-[5-(4-fluorophenoxy)-4'-(trifluoromethyl)biphenyl-3-yl]pentanoic acid (CHEBI:48658) has role γ-secretase modulator (CHEBI:48668)
2-[5-(4-fluorophenoxy)-4'-(trifluoromethyl)biphenyl-3-yl]pentanoic acid (CHEBI:48658) is a (trifluoromethyl)benzenes (CHEBI:83565)
2-[5-(4-fluorophenoxy)-4'-(trifluoromethyl)biphenyl-3-yl]pentanoic acid (CHEBI:48658) is a biphenylyl carboxylic acid (CHEBI:48660)
IUPAC Name 
2-[5-(4-fluorophenoxy)-4'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]pentanoic acid
Synonym  Source
2-(5-(4-fluorophenoxy)-4'-trifluoromethyl-biphenyl-3-yl)-pentanoic acidPatent
Manual XrefsDatabases
EP1849762Patent