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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:leflunomide
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Accession:CHEBI:6402 term browser browse the term
Definition:A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.
Synonyms:exact_synonym: 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
 related_synonym: 5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide;   5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilide;   Arava;   Formula=C12H9F3N2O2;   InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18);   InChIKey=VHOGYURTWQBHIL-UHFFFAOYSA-N;   SMILES=Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F;   alpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidide;   leflunomida;   leflunomidum
 xref: CAS:75706-12-6;   DrugBank:DB01097;   Drug_Central:1552;   HMDB:HMDB0015229;   KEGG:C07905;   KEGG:D00749;   LINCS:LSM-3771
 xref_mesh: MESH:C045463
 xref: PMID:10515382;   PMID:10702725;   PMID:10890256;   PMID:11043056;   PMID:11053058;   PMID:11067959;   PMID:11271257;   PMID:11333342;   PMID:11340750;   PMID:11391470;   PMID:11475244;   PMID:11522581;   PMID:11707749;   PMID:11718154;   PMID:11876141;   PMID:11884931;   PMID:11994686;   PMID:12017890;   PMID:12074690;   PMID:12833393;   PMID:14622739;   PMID:15030575;   PMID:15127968;   PMID:15127974;   PMID:15188371;   PMID:15214907;   PMID:15385935;   PMID:15489872;   PMID:15537652;   PMID:15652966;   PMID:15665760;   PMID:15789891;   PMID:15899055;   PMID:15934905;   PMID:16106593;   PMID:16142756;   PMID:16202258;   PMID:16284916;   PMID:16638062;   PMID:16638420;   PMID:16645972;   PMID:16688677;   PMID:16769661;   PMID:16778342;   PMID:17366662;   PMID:17604599;   PMID:17646975;   PMID:17854740;   PMID:18034546;   PMID:18173611;   PMID:18413415;   PMID:18496682;   PMID:18663553;   PMID:18688040;   PMID:19169882;   PMID:19190124;   PMID:19344337;   PMID:19581389;   PMID:19715969;   PMID:19751817;   PMID:19770782;   PMID:7496341;   PMID:7676489;   PMID:8610393;   PMID:9075844;   PMID:9123314;   PMID:9625011;   PMID:9777697;   Patent:DE2854439;   Patent:US4284786;   Reaxys:4323174;   Wikipedia:Leflunomide


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      CHEBI ontology 20856
        role 20816
          biological role 20814
            immunomodulator 15127
              immunosuppressive agent 13981
                leflunomide 2631
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      CHEBI ontology 20856
        subatomic particle 20854
          composite particle 20854
            hadron 20854
              baryon 20854
                nucleon 20854
                  atomic nucleus 20854
                    atom 20854
                      main group element atom 20777
                        p-block element atom 20777
                          carbon group element atom 20710
                            carbon atom 20704
                              organic molecular entity 20704
                                heteroorganic entity 20215
                                  organochalcogen compound 19902
                                    organooxygen compound 19804
                                      carbon oxoacid 19150
                                        carboxylic acid 19147
                                          carboacyl group 18082
                                            univalent carboacyl group 18082
                                              carbamoyl group 17918
                                                carboxamide 17918
                                                  monocarboxylic acid amide 15949
                                                    leflunomide 2631
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