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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:3-[4-[(2R,3R)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile
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Accession:CHEBI:126163 term browser browse the term
Definition:A nitrile that has formula C24H24F3N3O2.
Synonyms:related_synonym: Formula=C24H24F3N3O2;   InChI=1S/C24H24F3N3O2/c1-16(32)29-14-23(15-29)22(21(13-31)30(23)10-9-24(25,26)27)19-7-5-18(6-8-19)20-4-2-3-17(11-20)12-28/h2-8,11,21-22,31H,9-10,13-15H2,1H3/t21-,22+/m0/s1;   InChIKey=QZFUSVJIMZSOPS-FCHUYYIVSA-N;   SMILES=CC(=O)N1CC2(C1)[C@@H]([C@@H](N2CCC(F)(F)F)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N
 xref: LINCS:LSM-37730

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  CHEBI ontology 0
    chemical entity 0
      group 0
        pseudohalo group 0
          cyano group 0
            nitrile 0
              3-[4-[(2R,3R)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile 0
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  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
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                carbocyclic compound 0
                                  benzenoid aromatic compound 0
                                    biphenyls 0
                                      3-[4-[(2R,3R)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile 0
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