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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;   PMID:16288083;   Reaxys:10305570
 cyclic_relationship: is_conjugate_base_of CHEBI:87591


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Term Annotations click to browse term
  CHEBI ontology 19789
    role 19735
      biological role 19734
        inhibitor 18180
          Smad3 inhibitor 0
            SIS3 free base 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19789
    subatomic particle 19787
      composite particle 19787
        hadron 19787
          baryon 19787
            nucleon 19787
              atomic nucleus 19787
                atom 19787
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19569
                        carbon atom 19558
                          organic molecular entity 19558
                            organic group 18473
                              organic divalent group 18467
                                organodiyl group 18467
                                  carbonyl group 18366
                                    carbonyl compound 18366
                                      carboxylic acid 18038
                                        carboacyl group 17193
                                          univalent carboacyl group 17193
                                            carbamoyl group 16931
                                              carboxamide 16931
                                                alpha,beta-unsaturated carboxylic acid amide 4761
                                                  enamide 4761
                                                    SIS3 free base 0
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