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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:(R)-DRF053
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Accession:CHEBI:142838 term browser browse the term
Definition:A member of the class of 2,6-diaminopurines that is 2,6-diamiopurine which is substituted by an isopropyl group at position 9 and in which the amino groups at positions 2 and 6 are substituted by a 1-hydroxybutan-2-yl and 3-(pyridin-2-yl)phenyl groups, respectively (the R enantiomer). A cyclin dependent kinase inhibitor, widely used as its hydrochloride hydrate.
Synonyms:exact_synonym: (2R)-2-({9-isopropyl-6-[3-(pyridin-2-yl)anilino]-9H-purin-2-yl}amino)butan-1-ol
 related_synonym: Formula=C23H27N7O;   InChI=1S/C23H27N7O/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-9-7-8-16(12-18)19-10-5-6-11-24-19/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29)/t17-/m1/s1;   InChIKey=LWANFAFTTOKZAX-QGZVFWFLSA-N;   SMILES=OC[C@H](NC1=NC=2N(C=NC2C(=N1)NC3=CC(C4=NC=CC=C4)=CC=C3)C(C)C)CC
 xref: PMID:22415086;   PMID:28986398


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Term Annotations click to browse term
  CHEBI ontology 19898
    role 19868
      application 19714
        NMR chemical shift reference compound 18086
          ammonia 17885
            organic amino compound 17885
              secondary amino compound 6962
                (R)-DRF053 0
                  (R)-DRF053 hydrochloride hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            organic molecule 19724
                              organic cyclic compound 19515
                                organic heterocyclic compound 18890
                                  organic heteropolycyclic compound 18310
                                    organic heterobicyclic compound 17252
                                      imidazopyrimidine 7759
                                        purines 7758
                                          aminopurine 6727
                                            2,6-diaminopurines 39
                                              (R)-DRF053 0
                                                (R)-DRF053 hydrochloride hydrate 0
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