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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:abafungin
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Accession:CHEBI:76005 term browser browse the term
Definition:A member of the class of guanidines that is tetrahydropyrimidin-2(1H)-imine in which the hydrogen of the imino group is replaced by a thiazol-2-yl group which in turn is substituted by a 2-(2,4-dimethylphenoxy)phenyl group at position 4. It has been used for the topical treatment of fungal nail infections.
Synonyms:exact_synonym: N-{4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl}tetrahydropyrimidin-2(1H)-imine
 related_synonym: Abasol;   Formula=C21H22N4OS;   InChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25);   InChIKey=TYBHXIFFPVFXQW-UHFFFAOYSA-N;   SMILES=Cc1ccc(Oc2ccccc2-c2csc(N=C3NCCCN3)n2)c(C)c1;   abafungina;   abafungine;   abafunginum
 xref: CAS:129639-79-8;   PMID:18587237;   PMID:20383346;   Patent:CN101372486;   Patent:CN101396363;   Patent:CN101845044;   Patent:CN1969874;   Patent:WO2009043307;   Reaxys:11337934;   Wikipedia:Abafungin


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Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      application 19689
        pharmaceutical 19525
          drug 19525
            antifungal drug 5946
              abafungin 0
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Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            organic molecule 19700
                              organic cyclic compound 19490
                                organic heterocyclic compound 18868
                                  heteroarene 17151
                                    monocyclic heteroarene 14980
                                      azole 14503
                                        thiazoles 1800
                                          1,3-thiazoles 1231
                                            abafungin 0
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