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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:4-[[3-(diethylamino)propylamino]methylidene]-2-(2,6-dimethylphenyl)isoquinoline-1,3-dione
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Accession:CHEBI:111427 term browser browse the term
Definition:An isoquinoline that has formula C25H31N3O2.
Synonyms:related_synonym: Formula=C25H31N3O2;   InChI=1S/C25H31N3O2/c1-5-27(6-2)16-10-15-26-17-22-20-13-7-8-14-21(20)24(29)28(25(22)30)23-18(3)11-9-12-19(23)4/h7-9,11-14,17,26H,5-6,10,15-16H2,1-4H3;   InChIKey=CRVGULJJFAQILD-UHFFFAOYSA-N;   SMILES=CCN(CC)CCCNC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=C(C=CC=C3C)C
 xref: LINCS:LSM-22883


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      atom 19809
        nonmetal atom 19747
          nitrogen atom 18962
            nitrogen molecular entity 18934
              organonitrogen compound 18783
                organonitrogen heterocyclic compound 18154
                  isoquinolines 527
                    4-[[3-(diethylamino)propylamino]methylidene]-2-(2,6-dimethylphenyl)isoquinoline-1,3-dione 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic heterocyclic compound 18862
                                  organonitrogen heterocyclic compound 18154
                                    isoquinolines 527
                                      4-[[3-(diethylamino)propylamino]methylidene]-2-(2,6-dimethylphenyl)isoquinoline-1,3-dione 0
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