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ONTOLOGY REPORT - ANNOTATIONS


Term:9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine
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Accession:CHEBI:90530 term browser browse the term
Definition:A member of the class of purines that is carrying 9-cyclopentyl-9H-purine-2,8-diamine in which the amino groups at positions 2 and 8 are carrying 4-methoxyphenyl and 2-fluorophenyl substituents respectively.
Synonyms:related_synonym: Formula=C23H23FN6O;   InChI=1S/C23H23FN6O/c1-31-17-12-10-15(11-13-17)26-22-25-14-20-21(29-22)30(16-6-2-3-7-16)23(28-20)27-19-9-5-4-8-18(19)24/h4-5,8-14,16H,2-3,6-7H2,1H3,(H,27,28)(H,25,26,29);   InChIKey=IMFVPVKPQOQCBY-UHFFFAOYSA-N;   SMILES=C=1(F)C=CC=CC1NC2=NC3=C(N=C(N=C3)NC4=CC=C(C=C4)OC)N2C5CCCC5
 xref: PDBeChem:JBI;   PMID:22226655 "Europe PMC";   Reaxys:12671863 "Reaxys"


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  CHEBI ontology 19716
    role 19663
      application 19308
        refrigerant 17091
          ammonia 16690
            organic amino compound 16689
              secondary amino compound 6375
                9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine 0
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  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    main group molecular entity 19598
                      s-block molecular entity 19361
                        hydrogen molecular entity 19350
                          hydrides 18280
                            inorganic hydride 17204
                              pnictogen hydride 17166
                                nitrogen hydride 17003
                                  azane 16693
                                    ammonia 16690
                                      organic amino compound 16689
                                        aromatic amine 13593
                                          anilines 12310
                                            substituted aniline 11807
                                              9-cyclopentyl-N(8)-(2-fluorophenyl)-N(2)-(4-methoxyphenyl)-9H-purine-2,8-diamine 0
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