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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-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone
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Accession:CHEBI:120424 term browser browse the term
Definition:A pyridazine that has formula C18H21N3O3S.
Synonyms:related_synonym: Formula=C18H21N3O3S;   InChI=1S/C18H21N3O3S/c1-23-15-7-5-13(11-16(15)24-2)14-6-8-17(20-19-14)25-12-18(22)21-9-3-4-10-21/h5-8,11H,3-4,9-10,12H2,1-2H3;   InChIKey=VCSBLUOZMMRJMH-UHFFFAOYSA-N;   SMILES=COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)N3CCCC3)OC
 xref: LINCS:LSM-31867


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  CHEBI ontology 19808
    chemical entity 19806
      molecular entity 19806
        polyatomic entity 19764
          molecule 19670
            cyclic compound 19486
              ring assembly 9171
                2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone 0
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Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            organic molecule 19655
                              organic cyclic compound 19468
                                organic heterocyclic compound 18848
                                  organic heteromonocyclic compound 17773
                                    diazines 13204
                                      pyridazines 137
                                        2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone 0
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