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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:2-[2-[[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-4-isoquinolinylidene]methylamino]-4-thiazolyl]acetic acid ethyl ester
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Accession:CHEBI:109586 term browser browse the term
Definition:An isoquinoline that has formula C24H18F3N3O4S.
Synonyms:related_synonym: Formula=C24H18F3N3O4S;   InChI=1S/C24H18F3N3O4S/c1-2-34-20(31)11-14-13-35-23(29-14)28-12-17-15-7-3-4-8-16(15)21(32)30(22(17)33)19-10-6-5-9-18(19)24(25,26)27/h3-10,12-13H,2,11H2,1H3,(H,28,29);   InChIKey=WKGGBAOWGXKNGQ-UHFFFAOYSA-N;   SMILES=CCOC(=O)CC1=CSC(=N1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4C(F)(F)F
 xref: LINCS:LSM-21014


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5053
    chemical entity 5053
      atom 5044
        nonmetal atom 5008
          nitrogen atom 495
            nitrogen molecular entity 495
              organonitrogen compound 379
                organonitrogen heterocyclic compound 265
                  isoquinolines 4
                    2-[2-[[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-4-isoquinolinylidene]methylamino]-4-thiazolyl]acetic acid ethyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5053
    subatomic particle 5044
      composite particle 5044
        hadron 5044
          baryon 5044
            nucleon 5044
              atomic nucleus 5044
                atom 5044
                  main group element atom 5015
                    p-block element atom 5012
                      carbon group element atom 4929
                        carbon atom 4928
                          organic molecular entity 4928
                            organic molecule 4876
                              organic cyclic compound 4815
                                organic heterocyclic compound 4605
                                  organonitrogen heterocyclic compound 265
                                    isoquinolines 4
                                      2-[2-[[1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-4-isoquinolinylidene]methylamino]-4-thiazolyl]acetic acid ethyl ester 0
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