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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:SB220025
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Accession:CHEBI:82713 term browser browse the term
Definition:Am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively.
Synonyms:exact_synonym: 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
 related_synonym: Formula=C18H19FN6;   InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24);   InChIKey=VSPFURGQAYMVAN-UHFFFAOYSA-N;   SB 220025;   SMILES=Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
 xref: DrugBank:DB04338;   PDBeChem:SB4;   PMID:22138711;   PMID:9454815;   Reaxys:9007200


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  CHEBI ontology 19792
    role 19738
      application 19385
        anti-inflammatory agent 14964
          SB220025 0
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  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19571
                        carbon atom 19560
                          organic molecular entity 19560
                            organic molecule 19483
                              organic cyclic compound 19252
                                organic heterocyclic compound 18422
                                  heteroarene 16462
                                    monocyclic heteroarene 13315
                                      azole 12480
                                        diazole 8135
                                          imidazoles 7662
                                            SB220025 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.