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ONTOLOGY REPORT - ANNOTATIONS


Term:1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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Accession:CHEBI:77796 term browser browse the term
Definition:A quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, and 7 by 2,4-difluorophenyl, fluorine, and 3-methylpiperazin-1-yl groups, respectively.
Synonyms:related_synonym: Formula=C21H18F3N3O3;   InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30);   InChIKey=QKDHBVNJCZBTMR-UHFFFAOYSA-N;   SMILES=CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19778
    role 19725
      biological role 19724
        antimicrobial agent 17271
          quinolone antibiotic 580
            1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 0
              (R)-temafloxacin + 0
              (S)-temafloxacin + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19778
    subatomic particle 19776
      composite particle 19776
        hadron 19776
          baryon 19776
            nucleon 19776
              atomic nucleus 19776
                atom 19776
                  main group element atom 19662
                    main group molecular entity 19662
                      s-block molecular entity 19405
                        hydrogen molecular entity 19395
                          hydrides 18370
                            inorganic hydride 17216
                              pnictogen hydride 17179
                                nitrogen hydride 17015
                                  azane 16710
                                    ammonia 16709
                                      organic amino compound 16708
                                        tertiary amino compound 8626
                                          N-arylpiperazine 2710
                                            1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 0
                                              (R)-temafloxacin + 0
                                              (S)-temafloxacin + 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.