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ONTOLOGY REPORT - ANNOTATIONS


Term:5-(2-methylpiperazine-1-sulfonyl)isoquinoline
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Accession:CHEBI:43385 term browser browse the term
Definition:A N-sulfonylpiperazine that has formula C14H17N3O2S.
Synonyms:related_synonym: 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE;   1-(5-Isoquinolinylsulfonyl)-2-methylpiperazine;   Formula=C14H17N3O2S;   InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3;   InChIKey=BDVFVCGFMNCYPV-UHFFFAOYSA-N;   SMILES=CC1CNCCN1S(=O)(=O)c1cccc2cnccc12
 xref: Beilstein:5482740;   CAS:84477-87-2;   DrugBank:DB07996
 xref_mesh: MESH:D019307
 xref: PDBeChem:IQP


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  CHEBI ontology 225
    chemical entity 225
      atom 225
        nonmetal atom 218
          nitrogen atom 146
            nitrogen molecular entity 146
              organonitrogen compound 138
                organonitrogen heterocyclic compound 112
                  isoquinolines 2
                    5-(2-methylpiperazine-1-sulfonyl)isoquinoline 0
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  CHEBI ontology 225
    subatomic particle 225
      composite particle 225
        hadron 225
          baryon 225
            nucleon 225
              atomic nucleus 225
                atom 225
                  main group element atom 218
                    p-block element atom 218
                      chalcogen 187
                        oxygen atom 185
                          oxygen molecular entity 185
                            hydroxides 158
                              oxoacid 125
                                chalcogen oxoacid 13
                                  sulfur oxoacid 13
                                    sulfonic acid 13
                                      sulfonic acid derivative 13
                                        sulfonamide 10
                                          N-sulfonylpiperazine 0
                                            5-(2-methylpiperazine-1-sulfonyl)isoquinoline 0
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