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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:SB 431542
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Accession:CHEBI:91108 term browser browse the term
Definition:A member of the class of benzamides that is 4-(imidazol-2-yl)benzamide carrying additional 1,3-benzodioxol-5-yl and pyridin-2-yl substituents at positions 4 and 5 respectively on the imidazole ring.
Synonyms:exact_synonym: 4-[4-(2H-1,3-benzodioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide
 related_synonym: 4-(4-(1,3-Benzodioxole-5-yl)-5-(2-pyridyl)-1H-imidazole-2-yl)benzamide;   Formula=C22H16N4O3;   InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26);   InChIKey=FHYUGAJXYORMHI-UHFFFAOYSA-N;   SB431542;   SMILES=C(=O)(C1=CC=C(C=C1)C2=NC(=C(N2)C=3N=CC=CC3)C4=CC=5OCOC5C=C4)N
 alt_id: MESH:C459179
 xref: CAS:301836-41-9;   LINCS:LSM-3498
 xref_mesh: MESH:C459179
 xref: PMID:26647384;   PMID:26798350;   PMID:26820382;   Reaxys:9086247;   Wikipedia:SB-431542



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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19740
        chemical entity 19738
          atom 19738
            nonmetal atom 19678
              nitrogen atom 18877
                nitrogen molecular entity 18877
                  organonitrogen compound 18712
                    organonitrogen heterocyclic compound 17995
                      pyridines 9401
                        SB 431542 5713
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19740
        subatomic particle 19738
          composite particle 19738
            hadron 19738
              baryon 19738
                nucleon 19738
                  atomic nucleus 19738
                    atom 19738
                      main group element atom 19686
                        p-block element atom 19686
                          carbon group element atom 19631
                            carbon atom 19627
                              organic molecular entity 19627
                                organic group 18846
                                  organic divalent group 18832
                                    organodiyl group 18832
                                      carbonyl group 18798
                                        carbonyl compound 18798
                                          carboxylic acid 18518
                                            carboacyl group 17656
                                              univalent carboacyl group 17656
                                                carbamoyl group 17497
                                                  carboxamide 17497
                                                    monocarboxylic acid amide 15562
                                                      arenecarboxamide 7310
                                                        benzamides 7310
                                                          SB 431542 5713
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