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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:(S)-sertaconazole
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Accession:CHEBI:83684 term browser browse the term
Definition:A 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of sertaconazole.
Synonyms:exact_synonym: 1-[(2S)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
 related_synonym: Formula=C20H15Cl3N2OS;   InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m1/s1;   InChIKey=JLGKQTAYUIMGRK-LJQANCHMSA-N;   SMILES=Clc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
 cyclic_relationship: is_conjugate_base_of CHEBI:83698;   is_enantiomer_of CHEBI:83685


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sertaconazole term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO sertaconazole results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    chemical entity 19771
      atom 19770
        nonmetal atom 19646
          oxygen atom 19350
            oxygen molecular entity 19350
              organooxygen compound 18873
                ether 16633
                  1-\{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl\}imidazole 1
                    (S)-sertaconazole 1
                      sertaconazole 1
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
                                        diazole 8254
                                          imidazoles 7687
                                            1-\{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl\}imidazole 1
                                              (S)-sertaconazole 1
                                                sertaconazole 1
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