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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:8-fluoro-4-(4-methylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole
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Accession:CHEBI:122092 term browser browse the term
Definition:A N-arylpiperazine that has formula C15H17FN5.
Synonyms:related_synonym: Formula=C15H17FN5;   InChI=1S/C15H16FN5/c1-20-4-6-21(7-5-20)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)19-14/h2-3,8-9,19H,4-7H2,1H3/p+1;   InChIKey=LEYHARBCQOPTMC-UHFFFAOYSA-O;   SMILES=CN1CCN(CC1)C2=[NH+]C=NC3=C2NC4=C3C=C(C=C4)F
 xref: LINCS:LSM-33535


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  CHEBI ontology 1268
    role 1268
      application 1227
        NMR chemical shift reference compound 331
          ammonia 324
            organic amino compound 324
              aromatic amine 119
                N-arylpiperazine 10
                  8-fluoro-4-(4-methylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 1268
    subatomic particle 1268
      composite particle 1268
        hadron 1268
          baryon 1268
            nucleon 1268
              atomic nucleus 1268
                atom 1268
                  main group element atom 1261
                    main group molecular entity 1261
                      s-block molecular entity 1211
                        hydrogen molecular entity 1211
                          hydrides 369
                            inorganic hydride 330
                              pnictogen hydride 329
                                nitrogen hydride 329
                                  azane 324
                                    ammonia 324
                                      organic amino compound 324
                                        tertiary amino compound 177
                                          N-arylpiperazine 10
                                            8-fluoro-4-(4-methylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole 0
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