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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:U0126
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Accession:CHEBI:90693 term browser browse the term
Definition:An aryl sulfide that is (2Z,3Z)-bis[amino(sulfanyl)methylidene]butanedinitrile in which the sulfanyl hydrogens are replaced by 2-aminophenyl groups. An inhibitor of mitogen-activated protein kinase that also exhibits anti-cancer properties.
Synonyms:exact_synonym: (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylene}succinonitrile
 related_synonym: FT-1069-1;   Formula=C18H16N6S2;   InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+;   InChIKey=DVEXZJFMOKTQEZ-JYFOCSDGSA-N;   SMILES=C=1(C=CC=CC1N)S/C(=C(/C(/C#N)=C(/SC=2C(=CC=CC2)N)\\N)\\C#N)/N;   U 0126
 alt_id: CHEBI:64208
 xref: CAS:109511-58-2;   CAS:218601-62-8;   LINCS:LSM-42806;   PDBeChem:5BM;   PMID:21618303;   PMID:22025280;   PMID:22052387;   PMID:22075021;   PMID:22101421;   PMID:22129618;   PMID:22182511;   PMID:22273495;   PMID:22286127;   PMID:22301382;   PMID:22313325;   PMID:22354777;   PMID:22396328;   PMID:24947959;   PMID:25363751;   PMID:25407271;   PMID:25492115;   PMID:25544156;   PMID:26349244;   PMID:9660836;   Reaxys:3483750;   Wikipedia:U0126


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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      chemical role 0
        antioxidant 0
          U0126 0
            U0126.EtOH 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        aromatic amine 0
                                          anilines 0
                                            substituted aniline 0
                                              U0126 0
                                                U0126.EtOH 0
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