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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-\{5-[2-\{4-[2-(dimethylamino)ethoxy]phenyl\}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene\}hydroxylamine
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Accession:CHEBI:131880 term browser browse the term
Definition:A ketoxime that is the oxime of indan-1-one in which the hydrogen at position 5 has been replaced by an imidazol-5-yl group which has itself been substituted at positions 2 and 4 by p-[2-(dimethylamino)ethoxy]phenyl and pyridin-4-yl groups, respectively.
Synonyms:related_synonym: Formula=C27H27N5O2;   InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30);   InChIKey=MLSAQOINCGAULQ-UHFFFAOYSA-N;   SMILES=N(=C1CCC2=C1C=CC(=C2)C=3N=C(NC3C=4C=CN=CC4)C5=CC=C(C=C5)OCCN(C)C)O


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19840
    role 19816
      application 19658
        NMR chemical shift reference compound 18005
          ammonia 17823
            organic amino compound 17823
              tertiary amino compound 10139
                N-\{5-[2-\{4-[2-(dimethylamino)ethoxy]phenyl\}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene\}hydroxylamine 0
                  (E)-SB-590885 + 0
                  (Z)-SB-590885 + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19840
    subatomic particle 19838
      composite particle 19838
        hadron 19838
          baryon 19838
            nucleon 19838
              atomic nucleus 19838
                atom 19838
                  main group element atom 19788
                    p-block element atom 19788
                      carbon group element atom 19734
                        carbon atom 19730
                          organic molecular entity 19730
                            organic molecule 19683
                              organic cyclic compound 19494
                                organic heterocyclic compound 18869
                                  heteroarene 17137
                                    monocyclic heteroarene 14872
                                      azole 14378
                                        diazole 10479
                                          imidazoles 9883
                                            N-\{5-[2-\{4-[2-(dimethylamino)ethoxy]phenyl\}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene\}hydroxylamine 0
                                              (E)-SB-590885 + 0
                                              (Z)-SB-590885 + 0
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