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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:4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
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Accession:CHEBI:144674 term browser browse the term
Definition:A pyrazolopyridazine that is pyrazolo[1,5-b]pyridazine which is substituted by a 2-anilinopyrimidin-4-yl group at position 3 and by an ethoxy group at position 6.
Synonyms:related_synonym: CAF333;   Formula=C18H16N6O;   InChI=1S/C18H16N6O/c1-2-25-17-9-8-16-14(12-20-24(16)23-17)15-10-11-19-18(22-15)21-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,19,21,22);   InChIKey=PYPQTEASXCHUAO-UHFFFAOYSA-N;   SMILES=CCOC=1C=CC=2N(N1)N=CC2C3=CC=NC(NC4=CC=CC=C4)=N3


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Term Annotations click to browse term
  CHEBI ontology 22307
    role 22293
      application 21928
        NMR chemical shift reference compound 18839
          ammonia 18477
            organic amino compound 18477
              aromatic amine 15795
                aminopyrimidine 2044
                  4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22307
    subatomic particle 22302
      composite particle 22302
        hadron 22302
          baryon 22302
            nucleon 22302
              atomic nucleus 22302
                atom 22302
                  main group element atom 22184
                    main group molecular entity 22184
                      s-block molecular entity 21804
                        hydrogen molecular entity 21721
                          hydrides 20775
                            inorganic hydride 18716
                              pnictogen hydride 18697
                                nitrogen hydride 18571
                                  azane 18478
                                    ammonia 18477
                                      organic amino compound 18477
                                        aromatic amine 15795
                                          anilines 14576
                                            substituted aniline 14194
                                              4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine 0
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