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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:N-\{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl\}-4-methoxycyclohexanecarboxamide
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Accession:CHEBI:43460 term browser browse the term
Definition:A member of the class of bipyridines that is 4,4'-bipyridine substituted at positions 2 and 2' by 4-fluoroaminophenyl and 4-methoxycyclohexanecarboxamido groups respectively.
Synonyms:related_synonym: Formula=C24H25FN4O2;   InChI=1S/C24H25FN4O2/c1-31-21-8-2-16(3-9-21)24(30)29-23-15-18(11-13-27-23)17-10-12-26-22(14-17)28-20-6-4-19(25)5-7-20/h4-7,10-16,21H,2-3,8-9H2,1H3,(H,26,28)(H,27,29,30);   InChIKey=ACGBFWCBVIXTPZ-UHFFFAOYSA-N;   SMILES=COC1CCC(CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
 xref: DrugBank:DB08025;   PDBeChem:JNK;   Reaxys:26129689


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  CHEBI ontology 0
    role 0
      application 0
        NMR chemical shift reference compound 0
          ammonia 0
            organic amino compound 0
              aromatic amine 0
                N-\{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl\}-4-methoxycyclohexanecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                N-\{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl\}-4-methoxycyclohexanecarboxamide 0
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