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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:PA-16-0081C
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Accession:CHEBI:144673 term browser browse the term
Definition:An organic heterotricyclic compound that is N,1,4,4-tetramethyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide substituted by a [2-methyl-4-(4-methylpiperazin-1-yl)phenyl]nitrilo group at position 8.
Synonyms:exact_synonym: N,1,4,4-tetramethyl-8-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
 related_synonym: Formula=C26H34N8O;   InChI=1S/C26H34N8O/c1-16-13-18(34-11-9-32(5)10-12-34)7-8-19(16)29-25-28-15-17-14-26(2,3)20-22(24(35)27-4)31-33(6)23(20)21(17)30-25/h7-8,13,15H,9-12,14H2,1-6H3,(H,27,35)(H,28,29,30);   InChIKey=SHDNXWHTEHEILL-UHFFFAOYSA-N;   SMILES=CN1CCN(CC1)C2=CC=C(NC3=NC=C4CC(C)(C)C5=C(N(C)N=C5C(NC)=O)C4=N3)C(C)=C2


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  CHEBI ontology 5076
    role 5041
      application 884
        NMR chemical shift reference compound 421
          ammonia 393
            organic amino compound 286
              secondary amino compound 39
                PA-16-0081C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5076
    subatomic particle 5067
      composite particle 5067
        hadron 5067
          baryon 5067
            nucleon 5067
              atomic nucleus 5067
                atom 5067
                  main group element atom 5037
                    p-block element atom 5034
                      carbon group element atom 4951
                        carbon atom 4950
                          organic molecular entity 4950
                            heteroorganic entity 4790
                              organochalcogen compound 4752
                                organooxygen compound 4714
                                  carbon oxoacid 388
                                    carboxylic acid 384
                                      carboacyl group 211
                                        univalent carboacyl group 211
                                          carbamoyl group 208
                                            carboxamide 208
                                              secondary carboxamide 2
                                                PA-16-0081C 0
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