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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:3-(4-chloroanilino)-2-(isopropylsulfonyl)acrylonitrile
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Accession:CHEBI:228714 term browser browse the term
Synonyms:exact_synonym: 3-(4-chloroanilino)-2-propan-2-ylsulonylprop-2-enenitrile
 related_synonym: Formula=C12H13ClN2O2S;   InChI=1S/C12H13ClN2O2S/c1-9(2)18(16,17)12(7-14)8-15-11-5-3-10(13)4-6-11/h3-6,8-9,15H,1-2H3;   InChIKey=MJEPGJGSFYYKMR-UHFFFAOYSA-N;   SMILES=ClC1=CC=C(NC=C(S(=O)(=O)C(C)C)C#N)C=C1
 xref: Chemspider:3786653



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Term Annotations click to browse term
  CHEBI ontology 26050
    role 25966
      application 25188
        NMR chemical shift reference compound 20303
          ammonia 19957
            organic amino compound 19957
              aromatic amine 16211
                anilines 15083
                  substituted aniline 14609
                    3-(4-chloroanilino)-2-(isopropylsulfonyl)acrylonitrile 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26050
    subatomic particle 26025
      composite particle 26025
        hadron 26025
          baryon 26025
            nucleon 26025
              atomic nucleus 26025
                atom 26025
                  main group element atom 25850
                    main group molecular entity 25850
                      s-block molecular entity 25171
                        hydrogen molecular entity 24769
                          hydrides 22979
                            inorganic hydride 20497
                              pnictogen hydride 20438
                                nitrogen hydride 20214
                                  azane 19958
                                    ammonia 19957
                                      organic amino compound 19957
                                        aromatic amine 16211
                                          anilines 15083
                                            substituted aniline 14609
                                              3-(4-chloroanilino)-2-(isopropylsulfonyl)acrylonitrile 0
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