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ONTOLOGY REPORT - ANNOTATIONS


Term:SIS3 free base
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Accession:CHEBI:87589 term browser browse the term
Definition:An enamide resulting from the formal condensation of the amino group of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline with the carboxy group of (2E)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acrylic acid.
Synonyms:exact_synonym: (2E)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one
 related_synonym: Formula=C28H27N3O3;   InChI=1S/C28H27N3O3/c1-30-27(19-8-5-4-6-9-19)22(23-10-7-14-29-28(23)30)11-12-26(32)31-15-13-20-16-24(33-2)25(34-3)17-21(20)18-31/h4-12,14,16-17H,13,15,18H2,1-3H3/b12-11+;   InChIKey=IJYPHMXWKKKHGT-VAWYXSNFSA-N;   SMILES=COc1cc2CCN(Cc2cc1OC)C(=O)\\C=C\\c1c(-c2ccccc2)n(C)c2ncccc12
 xref: CAS:1009104-85-1 "ChEBI";   PMID:16288083 "Europe PMC";   Reaxys:10305570 "Reaxys"
 cyclic_relationship: is_conjugate_base_of CHEBI:87591


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19662
    role 19606
      biological role 19604
        inhibitor 18062
          Smad3 inhibitor 0
            SIS3 free base 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19662
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19658
                atom 19658
                  main group element atom 19539
                    p-block element atom 19539
                      carbon group element atom 19422
                        carbon atom 19414
                          organic molecular entity 19414
                            organic group 18340
                              organic divalent group 18330
                                organodiyl group 18330
                                  carbonyl group 18217
                                    carbonyl compound 18217
                                      carboxylic acid 17921
                                        carboacyl group 16944
                                          univalent carboacyl group 16944
                                            carbamoyl group 16623
                                              carboxamide 16623
                                                alpha,beta-unsaturated carboxylic acid amide 4755
                                                  enamide 4755
                                                    SIS3 free base 0
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