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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:dacomitinib
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Accession:CHEBI:132268 term browser browse the term
Definition:A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group.
Synonyms:exact_synonym: (2E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-(piperidin-1-yl)but-2-enamide
 related_synonym: Formula=C24H25ClFN5O2;   InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+;   InChIKey=LVXJQMNHJWSHET-AATRIKPKSA-N;   PF 00299804-03;   PF-00299804;   SMILES=ClC=1C=C(NC2=NC=NC=3C2=CC(NC(=O)\\C=C\\CN4CCCCC4)=C(OC)C3)C=CC1F;   dacomitinibum
 xref: CAS:1110813-31-4;   KEGG:D09883
 xref_mesh: MESH:C525726
 xref: PDBeChem:1C9;   PMID:22753918;   PMID:22761403;   PMID:24853121;   PMID:25669172;   PMID:26179237;   PMID:26768165;   PMID:26792360;   PMID:26899759;   PMID:27070370;   PMID:27289242;   Reaxys:12400147;   Wikipedia:Dacomitinib


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  CHEBI ontology 5066
    role 5030
      application 869
        pharmaceutical 719
          drug 719
            antineoplastic agent 179
              dacomitinib 0
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Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    p-block element atom 5023
                      carbon group element atom 4940
                        carbon atom 4939
                          organic molecular entity 4939
                            heteroorganic entity 4779
                              organochalcogen compound 4741
                                organooxygen compound 4703
                                  carbon oxoacid 370
                                    carboxylic acid 366
                                      carboacyl group 211
                                        univalent carboacyl group 211
                                          carbamoyl group 208
                                            carboxamide 208
                                              alpha,beta-unsaturated carboxylic acid amide 15
                                                enamide 15
                                                  dacomitinib 0
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