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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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Term Annotations click to browse term
  CHEBI ontology 26504
    role 26327
      application 25591
        NMR chemical shift reference compound 20575
          ammonia 20008
            organic amino compound 20008
              aromatic amine 16290
                N-arylpiperazine 3436
                  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 26504
    subatomic particle 26480
      composite particle 26480
        hadron 26480
          baryon 26480
            nucleon 26480
              atomic nucleus 26480
                atom 26480
                  main group element atom 26218
                    main group molecular entity 26218
                      s-block molecular entity 25456
                        hydrogen molecular entity 24863
                          hydrides 23081
                            inorganic hydride 20555
                              pnictogen hydride 20497
                                nitrogen hydride 20283
                                  azane 20009
                                    ammonia 20008
                                      organic amino compound 20008
                                        tertiary amino compound 10465
                                          N-arylpiperazine 3436
                                            8-fluoro-4-(4-methylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole 0
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