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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:6-\{4-[(4-ethylpiperazin-1-yl)methyl]phenyl\}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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Accession:CHEBI:170005 term browser browse the term
Definition:A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by (1-phenylethyl)amino and 4-[(4-ethylpiperazin-1-yl)methyl]phenyl groups at positions 4 and 6, respectively.
Synonyms:related_synonym: Formula=C27H32N6;   InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31);   InChIKey=OONFNUWBHFSNBT-UHFFFAOYSA-N;   SMILES=CCN1CCN(CC2=CC=C(C=C2)C2=CC3=C(NC(C)C4=CC=CC=C4)N=CN=C3N2)CC1
 xref: CAS:1155336-34-7


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  CHEBI ontology 19808
    role 19784
      application 19627
        NMR chemical shift reference compound 17938
          ammonia 17797
            organic amino compound 17797
              secondary amino compound 6829
                6-\{4-[(4-ethylpiperazin-1-yl)methyl]phenyl\}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine 0
                  AEE788 0
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  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    main group molecular entity 19756
                      s-block molecular entity 19595
                        hydrogen molecular entity 19582
                          hydrides 19095
                            inorganic hydride 18093
                              pnictogen hydride 18082
                                nitrogen hydride 17989
                                  azane 17798
                                    ammonia 17797
                                      organic amino compound 17797
                                        tertiary amino compound 10131
                                          N-alkylpiperazine 3392
                                            6-\{4-[(4-ethylpiperazin-1-yl)methyl]phenyl\}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine 0
                                              AEE788 0
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