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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:SC560
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Accession:CHEBI:76274 term browser browse the term
Definition:A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-methoxyphenyl, trifluoromethyl and 4-chlorophenyl groups, respectively. Unlike many members of the diaryl heterocycle class of cyclooxygenase (COX) inhibitors, SC-560 is selective for COX-1.
Synonyms:exact_synonym: 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
 related_synonym: 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole;   Formula=C17H12ClF3N2O;   InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3;   InChIKey=PQUGCKBLVKJMNT-UHFFFAOYSA-N;   SC-560;   SMILES=COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
 xref: CAS:188817-13-2;   LINCS:LSM-2314;   PMID:12935431;   PMID:16362334;   PMID:16391822;   PMID:16816110;   PMID:16819292;   PMID:21581958;   PMID:21606076;   PMID:22078067;   PMID:22495067;   PMID:22611307;   PMID:22817606;   PMID:22949827;   PMID:23083210;   PMID:23193911;   PMID:23319543;   PMID:23426648;   PMID:23612418;   PMID:23734008;   PMID:23749198;   PMID:23886468;   PMID:23940446;   PMID:24048854;   PMID:24218498;   Patent:WO2008076703;   Reaxys:7719788


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  CHEBI ontology 19781
    role 19726
      biological role 19726
        biochemical role 19319
          apoptosis inducer 11028
            SC560 0
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  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic molecule 19510
                              organic cyclic compound 19337
                                organic heterocyclic compound 18550
                                  heteroarene 16513
                                    monocyclic heteroarene 13360
                                      azole 12536
                                        diazole 8254
                                          pyrazoles 1555
                                            SC560 0
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