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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 0
    role 0
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        refrigerant 0
          ammonia 0
            organic amino compound 0
              tertiary amino compound 0
                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 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic acid 0
                                        carboacyl group 0
                                          univalent carboacyl group 0
                                            carbamoyl group 0
                                              carboxamide 0
                                                secondary carboxamide 0
                                                  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.