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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 22194
        chemical entity 22193
          atom 22186
            nonmetal atom 22071
              nitrogen atom 20022
                nitrogen molecular entity 20022
                  organonitrogen compound 19826
                    organonitrogen heterocyclic compound 19086
                      pyridines 11802
                        SB 431542 6533
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 22194
        subatomic particle 22186
          composite particle 22186
            hadron 22186
              baryon 22186
                nucleon 22186
                  atomic nucleus 22186
                    atom 22186
                      main group element atom 22120
                        p-block element atom 22120
                          carbon group element atom 21920
                            carbon atom 21846
                              organic molecular entity 21846
                                heteroorganic entity 21500
                                  organochalcogen compound 20983
                                    organooxygen compound 20824
                                      carbon oxoacid 19606
                                        carboxylic acid 19602
                                          carboacyl group 18299
                                            univalent carboacyl group 18299
                                              carbamoyl group 18110
                                                carboxamide 18110
                                                  monocarboxylic acid amide 15837
                                                    arenecarboxamide 8290
                                                      benzamides 8290
                                                        SB 431542 6533
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