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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:rilpivirine
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Accession:CHEBI:68606 term browser browse the term
Definition:An aminopyrimidine that is pyrimidine-2,4-diamine in which the amino groups at positions 2 and 4 are substituted by 4-cyanophenyl and 4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl groups respectively. Used for treatment of HIV.
Synonyms:exact_synonym: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
 related_synonym: 4-{[4-({4-[(E)-2-cyanovinyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile;   Formula=C22H18N6;   InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+;   InChIKey=YIBOMRUWOWDFLG-ONEGZZNKSA-N;   SMILES=Cc1cc(\\C=C\\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1;   TMC 278;   TMC278
 xref: CAS:500287-72-9;   DrugBank:DB08864;   HMDB:HMDB0061725;   KEGG:D09720;   PDBeChem:T27;   PMID:15771441;   PMID:15771449;   PMID:19048650;   PMID:19249947;   PMID:19328850;   PMID:19548857;   PMID:19678794;   PMID:20160045;   PMID:20438081;   PMID:21308448;   PMID:21373646;   PMID:21763920;   PMID:21763935;   PMID:21763936;   PMID:21860365;   PMID:21902621;   PMID:21997204;   PMID:22024527;   PMID:22067667;   PMID:22096405;   PMID:22209291;   PMID:22257626;   PMID:22293086;   PMID:22343174;   PMID:22356290;   PMID:22406117;   PMID:22430974;   PMID:22504027;   PMID:22519768;   PMID:22555080;   PMID:22567823;   PMID:22570576;   PMID:22664973;   PMID:22729755;   PMID:22842995;   PMID:22878339;   PMID:22921088;   PMID:22951490;   PMID:22955279;   PMID:25017682;   Patent:US2008280849;   Patent:WO2004016581;   Patent:WO2004069812;   Patent:WO2006035067;   Patent:WO2006035068;   Patent:WO2006035069;   Patent:WO2007082922;   Patent:WO2007113254;   Patent:WO2009007441;   Reaxys:9952270;   Wikipedia:Rilpivirine
 cyclic_relationship: is_conjugate_base_of CHEBI:68605


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22298
    chemical entity 22279
      group 22126
        pseudohalo group 4688
          cyano group 4694
            nitrile 4683
              rilpivirine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22298
    subatomic particle 22274
      composite particle 22292
        hadron 22292
          baryon 22292
            nucleon 22274
              atomic nucleus 22292
                atom 22292
                  main group element atom 22153
                    main group molecular entity 22153
                      s-block molecular entity 21749
                        hydrogen molecular entity 21664
                          hydrides 20790
                            inorganic hydride 18709
                              pnictogen hydride 18711
                                nitrogen hydride 18566
                                  azane 18491
                                    ammonia 18470
                                      organic amino compound 18470
                                        aromatic amine 15788
                                          aminopyrimidine 2044
                                            rilpivirine 0
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