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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)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
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Accession:CHEBI:143105 term browser browse the term
Definition:A secondary carboxamide resulting from the formal condensation of the carboxy group of 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. A CDKL2 inhibitor (Kd = 63nM).
Synonyms:related_synonym: CAF-181;   Formula=C22H28N6O2S2;   InChI=1S/C22H28N6O2S2/c1-22(2,3)16-12-24-18(30-16)14-31-19-13-25-21(32-19)26-20(29)15-5-6-23-17(11-15)28-9-7-27(4)8-10-28/h5-6,11-13H,7-10,14H2,1-4H3,(H,25,26,29);   InChIKey=DKEUNWBAWCANFH-UHFFFAOYSA-N;   N-(5-(((5-(tert-butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)-2-(4-methylpiperazin-1-yl)isonicotinamide;   SMILES=O=C(C1=CC=NC(N2CCN(CC2)C)=C1)NC3=NC=C(SCC4=NC=C(C(C)(C)C)O4)S3;   UNC-CAF-181


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  CHEBI ontology 19734
    chemical entity 19732
      atom 19730
        nonmetal atom 19601
          sulfur atom 16140
            sulfur molecular entity 16140
              sulfide 8137
                organic sulfide 8137
                  N-(5-\{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl\}-1,3-thiazol-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide 0
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  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    p-block element atom 19614
                      carbon group element atom 19506
                        carbon atom 19500
                          organic molecular entity 19500
                            organic group 18414
                              organic divalent group 18406
                                organodiyl group 18406
                                  carbonyl group 18295
                                    carbonyl compound 18295
                                      carboxylic acid 17963
                                        carboacyl group 17074
                                          univalent carboacyl group 17074
                                            carbamoyl group 16804
                                              carboxamide 16804
                                                secondary carboxamide 205
                                                  N-(5-\{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl\}-1,3-thiazol-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide 0
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