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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:Ro 48-8071
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Accession:CHEBI:101064 term browser browse the term
Definition:An aromatic ketone that is 2-fluoro-4'-bromobenzophenone in which the hydrogen at position 4 (meta to the fluoro group) is replaced by a 6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy group. An inhibitor of lanosterol synthase.
Synonyms:exact_synonym: (4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone
 related_synonym: Formula=C23H27BrFNO2;   InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3;   InChIKey=CMYCCJYVZIMDFU-UHFFFAOYSA-N;   SMILES=C(=O)(C1=CC=C(C=C1F)OCCCCCCN(CC=C)C)C=2C=CC(=CC2)Br
 xref: CAS:161582-11-2;   PMID:24486573;   PMID:24878988;   PMID:25051231;   PMID:25761781;   PMID:26033687;   PMID:26123692;   Reaxys:9437469
 cyclic_relationship: is_conjugate_base_of CHEBI:101224


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19844
    role 19820
      application 19663
        pharmaceutical 19504
          drug 19504
            antineoplastic agent 17765
              Ro 48-8071 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbonyl compound 18890
                                    ketone 17180
                                      aromatic ketone 12457
                                        benzophenones 1286
                                          benzophenone 749
                                            Ro 48-8071 0
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