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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: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;   PMID:25313209;   PMID:25488140;   PMID:25561337;   PMID:25624327;   PMID:25753636;   PMID:25940222;   PMID:25986029;   PMID:26000646;   Reaxys:9295730;   Wikipedia:Isavuconazole


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    chemical entity 19771
      group 19689
        pseudohalo group 2943
          cyano group 2943
            nitrile 2943
              isavuconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic molecule 19497
                              organic cyclic compound 19321
                                organic heterocyclic compound 18512
                                  heteroarene 16520
                                    monocyclic heteroarene 13364
                                      azole 12538
                                        triazoles 3652
                                          triazole antifungal agent 2367
                                            triazole antifungal drug 63
                                              isavuconazole 0
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