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ONTOLOGY REPORT - ANNOTATIONS


Term:N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine
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Accession:CHEBI:47188 term browser browse the term
Definition:A member of the class of piperidinylimidazoles that is 1-methyl-4-(1-propylimidazol-2-yl)piperidine carrying additional 3,4-dichlorophenyl and 2-(cyclopropylamino)pyrimidin-4-yl substituents at positions 4 and 5 respectively.
Synonyms:related_synonym: Formula=C25H30Cl2N6;   InChI=1S/C25H30Cl2N6/c1-3-12-33-23(21-8-11-28-25(30-21)29-18-5-6-18)22(17-4-7-19(26)20(27)15-17)31-24(33)16-9-13-32(2)14-10-16/h4,7-8,11,15-16,18H,3,5-6,9-10,12-14H2,1-2H3,(H,28,29,30);   InChIKey=XCTKFTOEAKJMII-UHFFFAOYSA-N;   N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propyl-1H-imidazol-5-yl]pyrimidin-2-amine;   SMILES=N1=C(N=C(C=C1)C=2N(C(=NC2C3=CC=C(C(=C3)Cl)Cl)C4CCN(CC4)C)CCC)NC5CC5
 xref: DrugBank:DB03084;   PDBeChem:984;   PMID:12954329 "Europe PMC";   Reaxys:15016356 "Reaxys"


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  CHEBI ontology 225
    role 225
      application 191
        refrigerant 69
          ammonia 69
            organic amino compound 69
              tertiary amino compound 21
                N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine 0
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  CHEBI ontology 225
    subatomic particle 225
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              atomic nucleus 225
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                          organic molecular entity 205
                            organic molecule 200
                              organic cyclic compound 184
                                organic heterocyclic compound 144
                                  heteroarene 24
                                    monocyclic heteroarene 12
                                      azole 12
                                        diazole 11
                                          imidazoles 8
                                            piperidinylimidazole 0
                                              N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine 0
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