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ONTOLOGY REPORT - ANNOTATIONS


Term:N-(5-\{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl\}-1,3-thiazol-2-yl)-1-(N,N-dimethylglycyl)piperidine-4-carboxamide
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Accession:CHEBI:143123 term browser browse the term
Definition:A secondary carboxamide resulting from the formal condensation of the carboxy group of 1-(N,N-dimethylglycyl)piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is a CDKL5 and CDK16 kinase inhibitor.
Synonyms:related_synonym: Formula=C21H31N5O3S2;   InChI=1S/C21H31N5O3S2/c1-21(2,3)15-10-22-16(29-15)13-30-18-11-23-20(31-18)24-19(28)14-6-8-26(9-7-14)17(27)12-25(4)5/h10-11,14H,6-9,12-13H2,1-5H3,(H,23,24,28);   InChIKey=OVUKTADEDLYYEZ-UHFFFAOYSA-N;   SMILES=O=C(NC1=NC=C(S1)SCC2=NC=C(O2)C(C)(C)C)C3CCN(CC3)C(CN(C)C)=O;   UNC-CAF-204


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  CHEBI ontology 21263
    role 21246
      application 20678
        refrigerant 18176
          ammonia 17218
            organic amino compound 17217
              tertiary amino compound 8660
                N-(5-\{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl\}-1,3-thiazol-2-yl)-1-(N,N-dimethylglycyl)piperidine-4-carboxamide 0
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  CHEBI ontology 21263
    subatomic particle 21259
      composite particle 21259
        hadron 21259
          baryon 21259
            nucleon 21259
              atomic nucleus 21259
                atom 21259
                  main group element atom 21127
                    p-block element atom 21127
                      carbon group element atom 20900
                        carbon atom 20790
                          organic molecular entity 20790
                            organic group 19182
                              organic divalent group 19172
                                organodiyl group 19172
                                  carbonyl group 19144
                                    carbonyl compound 19144
                                      carboxylic acid 18821
                                        carboacyl group 17454
                                          univalent carboacyl group 17454
                                            carbamoyl group 17154
                                              carboxamide 17154
                                                secondary carboxamide 233
                                                  N-(5-\{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl\}-1,3-thiazol-2-yl)-1-(N,N-dimethylglycyl)piperidine-4-carboxamide 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.