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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-[(1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
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Accession:CHEBI:63872 term browser browse the term
Definition:A triazole that is benzonitrile substituted by a (1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl group at position 4.
Synonyms:exact_synonym: 4-[(1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl]benzonitrile
 related_synonym: Formula=C18H15FN4O;   InChI=1S/C18H15FN4O/c19-16-7-3-13(4-8-16)9-17(24)18(23-12-21-11-22-23)15-5-1-14(10-20)2-6-15/h1-8,11-12,17-18,24H,9H2/t17-,18-/m0/s1;   InChIKey=SLJZVZKQYSKYNV-ROUUACIJSA-N;   SMILES=O[C@@H](Cc1ccc(F)cc1)[C@H](c1ccc(cc1)C#N)n1cncn1
 xref: PMID:16427081


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19781
    chemical entity 19781
      group 19699
        pseudohalo group 3027
          cyano group 3027
            nitrile 3027
              benzonitrile 4
                4-[(1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic molecule 19510
                              organic cyclic compound 19337
                                organic heterocyclic compound 18550
                                  heteroarene 16513
                                    monocyclic heteroarene 13360
                                      azole 12536
                                        triazoles 3646
                                          4-[(1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile 0
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