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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:6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide
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Accession:CHEBI:140953 term browser browse the term
Synonyms:exact_synonym: dihydrochloride
 related_synonym: 6-Chloro-5-methyl-1-[[2-(2-methylpyrid-3-yloxy)pyrid-5-yl]carbamoyl]indoline dihydrochloride hydrate;   Formula=C21H21Cl3N4O2;   InChI=1S/C21H19ClN4O2.2ClH/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2;;/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27);2*1H;   InChIKey=GCMNSEILNIPNSX-UHFFFAOYSA-N;   SB 242084 dihydrochloride;   SMILES=ClC1=CC=2N(CCC2C=C1C)C(=O)NC=3C=CC(OC4=C(N=CC=C4)C)=NC3[H].Cl[H].Cl[H]
 xref: CAS:181632-25-7;   Pubchem:16219981



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Term Annotations click to browse term
  CHEBI ontology 19911
    role 19887
      application 19723
        NMR chemical shift reference compound 17977
          pyridine 51
            6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19909
          baryon 19909
            nucleon 19909
              atomic nucleus 19909
                atom 19909
                  main group element atom 19859
                    p-block element atom 19859
                      carbon group element atom 19803
                        carbon atom 19799
                          organic molecular entity 19799
                            organic molecule 19753
                              organic cyclic compound 19558
                                organic heterocyclic compound 18901
                                  organic heteromonocyclic compound 17824
                                    pyridines 11520
                                      pyridine 51
                                        6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide 0
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