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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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  CHEBI ontology 19761
    role 19711
      application 19401
        refrigerant 17470
          ammonia 17006
            organic amino compound 17005
              tertiary amino compound 8650
                efinaconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic molecule 19493
                              organic cyclic compound 19318
                                organic heterocyclic compound 18510
                                  heteroarene 16517
                                    monocyclic heteroarene 13359
                                      azole 12533
                                        triazoles 3648
                                          triazole antifungal agent 2366
                                            triazole antifungal drug 62
                                              efinaconazole 0
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