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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:1-(4-\{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl\}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
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Accession:CHEBI:83271 term browser browse the term
Definition:An N-acylpiperidine that is N-acetyl 4-(1,3-thiazol-2-yl)piperidine in which the thiazole ring is substituted at position 4 by a 5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl group and in which one of the hydrogens of the acetyl group is replaced by a 5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl group.
Synonyms:related_synonym: Formula=C24H22F5N5O2S;   InChI=1S/C24H22F5N5O2S/c1-13-9-20(24(27,28)29)31-34(13)11-21(35)33-7-5-14(6-8-33)23-30-18(12-37-23)17-10-19(36-32-17)22-15(25)3-2-4-16(22)26/h2-4,9,12,14,19H,5-8,10-11H2,1H3;   InChIKey=IAQLCKZJGNTRDO-UHFFFAOYSA-N;   SMILES=Cc1cc(nn1CC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1c(F)cccc1F)C(F)(F)F
 xref: PPDB:2618


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      molecular entity 5051
        polyatomic entity 5032
          heteroatomic molecular entity 5001
            halide 315
              organohalogen compound 302
                organofluorine compound 72
                  1-(4-\{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl\}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone 0
                    (R)-oxathiapiprolin + 0
                    (S)-oxathiapiprolin + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbon oxoacid 368
                                    carboxylic acid 364
                                      carboacyl group 209
                                        univalent carboacyl group 209
                                          carbamoyl group 206
                                            carboxamide 211
                                              tertiary carboxamide 4
                                                1-(4-\{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl\}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone 0
                                                  (R)-oxathiapiprolin + 0
                                                  (S)-oxathiapiprolin + 0
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