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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:efinaconazole
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Accession:CHEBI:82718 term browser browse the term
Definition:A member of the class of triazoles that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,4-difluorophenyl, and 4-methylenepiperidin-1-yl groups, respectively (the 2R,3R stereoisomer). It is an antifungal drug used for the topical treatment of onychomycosis (a nail infection caused mainly by dermatophytes).
Synonyms:exact_synonym: (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
 related_synonym: Formula=C18H22F2N4O;   InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1;   InChIKey=NFEZZTICAUWDHU-RDTXWAMCSA-N;   JUBLIA;   KP-103;   SMILES=C[C@@H](N1CCC(=C)CC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F;   efinaconazol;   efinaconazolum
 xref: CAS:164650-44-6;   Drug_Central:4874;   KEGG:D10021;   PMID:23177180;   PMID:23318803;   PMID:23377392;   PMID:23459486;   PMID:23556032;   PMID:23837154;   PMID:24002148;   PMID:24156162;   PMID:24195094;   PMID:24249649;   PMID:24504588;   PMID:24570290;   PMID:24635354;   PMID:24752277;   PMID:24800702;   PMID:24850511;   PMID:24867968;   PMID:25007364;   PMID:25038564;   PMID:25053979;   PMID:25211303;   PMID:25257931;   PMID:25275736;   PMID:25276275;   Reaxys:8582880;   Wikipedia:Efinaconazole


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Term Annotations click to browse term
  CHEBI ontology 19921
    role 19893
      application 19734
        NMR chemical shift reference compound 18103
          ammonia 17899
            organic amino compound 17899
              tertiary amino compound 10158
                efinaconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      carbon group element atom 19804
                        carbon atom 19801
                          organic molecular entity 19801
                            organic molecule 19754
                              organic cyclic compound 19544
                                organic heterocyclic compound 18909
                                  heteroarene 17171
                                    monocyclic heteroarene 14995
                                      azole 14516
                                        triazoles 8436
                                          triazole antifungal agent 5760
                                            triazole antifungal drug 113
                                              efinaconazole 0
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