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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19922
    role 19894
      application 19735
        NMR chemical shift reference compound 18101
          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 19922
    subatomic particle 19892
      composite particle 19892
        hadron 19920
          baryon 19892
            nucleon 19920
              atomic nucleus 19892
                atom 19892
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19805
                        carbon atom 19802
                          organic molecular entity 19775
                            organic molecule 19755
                              organic cyclic compound 19545
                                organic heterocyclic compound 18906
                                  organic heteromonocyclic compound 17828
                                    pyridines 11517
                                      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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