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ONTOLOGY REPORT - ANNOTATIONS


Term:isavuconazole
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Accession:CHEBI:85979 term browser browse the term
Definition:A 1,3-thiazole that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,5-difluorophenyl, and 4-(p-cyanophenyl)-1,3-thiazol-2-yl groups, respectively. It is an antifungal drug used for the treatment of invasive aspergillosis and invasive mucormycosis.
Synonyms:exact_synonym: 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
 related_synonym: BAL 4815;   Formula=C22H17F2N5OS;   InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1;   InChIKey=DDFOUSQFMYRUQK-RCDICMHDSA-N;   SMILES=C[C@@H](c1nc(cs1)-c1ccc(cc1)C#N)[C@](O)(Cn1cncn1)c1cc(F)ccc1F;   isavuconazol;   isavuconazolum
 xref: CAS:241479-67-4 "ChemIDplus";   PMID:25313209 "Europe PMC";   PMID:25488140 "Europe PMC";   PMID:25561337 "Europe PMC";   PMID:25624327 "Europe PMC";   PMID:25753636 "Europe PMC";   PMID:25940222 "Europe PMC";   PMID:25986029 "Europe PMC";   PMID:26000646 "Europe PMC";   Reaxys:9295730 "Reaxys";   Wikipedia:Isavuconazole


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19734
    chemical entity 19732
      group 19640
        pseudohalo group 2776
          cyano group 2776
            nitrile 2776
              isavuconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic molecule 19418
                              organic cyclic compound 19189
                                organic heterocyclic compound 18267
                                  heteroarene 15820
                                    monocyclic heteroarene 13135
                                      azole 12263
                                        triazoles 3614
                                          triazole antifungal agent 2360
                                            triazole antifungal drug 59
                                              isavuconazole 0
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