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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: Beilstein:4323174;   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 19908
        role 19883
          biological role 19881
            immunomodulator 15070
              immunosuppressive agent 13938
                leflunomide 2627
    Path 2
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      CHEBI ontology 19908
        subatomic particle 19906
          composite particle 19906
            hadron 19906
              baryon 19906
                nucleon 19906
                  atomic nucleus 19906
                    atom 19906
                      main group element atom 19853
                        p-block element atom 19853
                          carbon group element atom 19799
                            carbon atom 19794
                              organic molecular entity 19794
                                organic group 18960
                                  organic divalent group 18941
                                    organodiyl group 18941
                                      carbonyl group 18893
                                        carbonyl compound 18893
                                          carboxylic acid 18614
                                            carboacyl group 17709
                                              univalent carboacyl group 17709
                                                carbamoyl group 17556
                                                  carboxamide 17556
                                                    monocarboxylic acid amide 15656
                                                      leflunomide 2627
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