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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-[[(2R,3S)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
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Accession:CHEBI:114034 term browser browse the term
Definition:An organofluorine compound that has formula C25H28FN3O4.
Synonyms:related_synonym: Formula=C25H28FN3O4;   InChI=1S/C25H28FN3O4/c1-16-13-29(17(2)15-30)25(32)22-11-20(6-5-19-7-9-21(26)10-8-19)12-27-24(22)33-23(16)14-28(4)18(3)31/h7-12,16-17,23,30H,13-15H2,1-4H3/t16-,17+,23-/m0/s1;   InChIKey=XVANEVHAXZLZTM-MFEFFIJZSA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=C(C=C3)F)O[C@H]1CN(C)C(=O)C)[C@H](C)CO
 xref: LINCS:LSM-25466



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Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      molecular entity 19897
        main group molecular entity 19835
          p-block molecular entity 19835
            halogen molecular entity 18703
              fluorine molecular entity 15304
                organofluorine compound 15001
                  N-[[(2R,3S)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      p-block molecular entity 19835
                        carbon group molecular entity 19776
                          organic molecular entity 19772
                            heteroorganic entity 19532
                              organohalogen compound 18554
                                organofluorine compound 15001
                                  N-[[(2R,3S)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide 0
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