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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:bosutinib
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Accession:CHEBI:39112 term browser browse the term
Definition:An aminoquinoline that is 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline bearing additional cyano and methoxy substituents at positions 3 and 6 respectively.
Synonyms:exact_synonym: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
 related_synonym: 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile;   Formula=C26H29Cl2N5O3;   InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31);   InChIKey=UBPYILGKFZZVDX-UHFFFAOYSA-N;   SKI-606;   SMILES=COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
 alt_id: MESH:C471992
 xref: Beilstein:9100307;   CAS:380843-75-4;   Drug_Central:4359;   KEGG:D03252;   LINCS:LSM-1190
 xref_mesh: MESH:C471992
 xref: PDBeChem:DB8;   PMID:18483306;   PMID:19039322;   PMID:19509264;   PMID:21148045;   PMID:21544849;   PMID:21680801;   PMID:21691746;   PMID:21700731;   PMID:21865346;   PMID:22031512;   PMID:22036634;   PMID:22037769;   PMID:22065400;   PMID:22179664;   PMID:22271876;   PMID:22311495;   PMID:22371878;   PMID:22425385;   PMID:22462037;   PMID:22471705;   PMID:22493660;   PMID:22588706;   PMID:22830347;   PMID:22884766;   PMID:22915985;   PMID:22937303;   PMID:22949154;   Reaxys:9100307;   Wikipedia:Bosutinib

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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      group 0
        pseudohalo group 0
          cyano group 0
            nitrile 0
              bosutinib 0
                bosutinib hydrate 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
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        tertiary amino compound 0
                                          N-alkylpiperazine 0
                                            N-methylpiperazine 0
                                              bosutinib 0
                                                bosutinib hydrate 0
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