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ONTOLOGY REPORT - ANNOTATIONS


Term:U0126.EtOH
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Accession:CHEBI:90692 term browser browse the term
Definition:An addition compound obtained by combining equimolar amounts of (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile (U0126) and ethanol. An inhibitor of mitogen-activated protein kinase that also exhibits anti-cancer properties.
Synonyms:exact_synonym: (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile--ethanol (1:1)
 related_synonym: Formula=C20H22N6OS2;   InChI=1S/C18H16N6S2.C2H6O/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;1-2-3/h1-8H,21-24H2;3H,2H2,1H3/b17-11+,18-12+;;   InChIKey=CFQULUVMLGZVAF-OYJDLGDISA-N;   SMILES=C=1(C=CC=CC1N)S/C(=C(/C(/C#N)=C(/SC=2C(=CC=CC2)N)\\N)\\C#N)/N.CCO;   U0126 ethanolate
 xref: PMID:26116534;   Reaxys:28046614;   Wikipedia:U0126


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  CHEBI ontology 842
    role 819
      chemical role 609
        antioxidant 303
          U0126.EtOH 0
Path 2
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  CHEBI ontology 842
    subatomic particle 826
      composite particle 826
        hadron 826
          baryon 826
            nucleon 826
              atomic nucleus 826
                atom 826
                  main group element atom 814
                    main group molecular entity 812
                      s-block molecular entity 695
                        hydrogen molecular entity 682
                          hydrides 317
                            inorganic hydride 212
                              pnictogen hydride 208
                                nitrogen hydride 208
                                  azane 201
                                    ammonia 201
                                      organic amino compound 201
                                        aromatic amine 33
                                          anilines 11
                                            substituted aniline 10
                                              U0126 0
                                                U0126.EtOH 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.