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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:2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile
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Accession:CHEBI:95118 term browser browse the term
Definition:A nitrile that has formula C17H9Cl3N4O2.
Synonyms:related_synonym: Formula=C17H9Cl3N4O2;   InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26);   InChIKey=ZSZFUDFOPOMEET-UHFFFAOYSA-N;   SMILES=C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl
 xref: LINCS:LSM-6383;   VSDB:1842


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Term Annotations click to browse term
  CHEBI ontology 19838
    chemical entity 19836
      group 19795
        pseudohalo group 4573
          cyano group 4573
            nitrile 4573
              2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      carbon group element atom 19734
                        carbon atom 19731
                          organic molecular entity 19731
                            one-carbon compound 17867
                              hydrogen cyanide 4789
                                cyanides 4772
                                  nitrile 4573
                                    2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile 0
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