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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:cis-(1R,2R)-sedaxane
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Accession:CHEBI:83176 term browser browse the term
Definition:An N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide that is the cis-(1R,2R)-diastereomer of sedaxane.
Synonyms:exact_synonym: N-{2-[(1R,2R)-1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
 related_synonym: Formula=C18H19F2N3O;   InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)/t12-,13+/m1/s1;   InChIKey=XQJQCBDIXRIYRP-OLZOCXBDSA-N;   SMILES=Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@@H]2C2CC2)c(n1)C(F)F
 xref: Reaxys:11337568
 cyclic_relationship: is_enantiomer_of CHEBI:83177


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    chemical entity 19839
      molecular entity 19839
        polyatomic entity 19797
          molecule 19701
            cyclic compound 19516
              ring assembly 9182
                N-\{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl\}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide 0
                  cis-(1R,2R)-sedaxane 0
                    sedaxane 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            organic molecule 19686
                              organic cyclic compound 19498
                                organic heterocyclic compound 18876
                                  heteroarene 17135
                                    monocyclic heteroarene 14869
                                      azole 14371
                                        diazole 10481
                                          pyrazoles 2318
                                            N-\{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl\}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide 0
                                              cis-(1R,2R)-sedaxane 0
                                                sedaxane 0
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