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5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one - Ontology Report - Rat Genome Database

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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one
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Accession:CHEBI:138738 term browser browse the term
Definition:A member of the class of furans that is furan-3(2H)-one which is substituted at positions 2, 4, and 5 by phenyl, m-(trifluoromethyl)phenyl, and methylamino groups, respectively.
Synonyms:related_synonym: Formula=C18H14F3NO2;   InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3;   InChIKey=NYRMIJKDBAQCHC-UHFFFAOYSA-N;   SMILES=O1C(=C(C(C1C2=CC=CC=C2)=O)C3=CC=CC(=C3)C(F)(F)F)NC
 xref: PPDB:349


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  CHEBI ontology 19887
    role 19858
      application 19697
        NMR chemical shift reference compound 18070
          ammonia 17868
            organic amino compound 17868
              secondary amino compound 6959
                5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one 0
                  (R)-flurtamone + 0
                  (S)-flurtamone + 0
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  CHEBI ontology 19887
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                        hydrogen molecular entity 19640
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                                    haloalkane 12901
                                      fluoroalkane 9224
                                        fluoromethanes 6771
                                          tetrafluoromethane 6771
                                            trifluoromethyl group 6771
                                              (trifluoromethyl)benzenes 6771
                                                5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one 0
                                                  (R)-flurtamone + 0
                                                  (S)-flurtamone + 0
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