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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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Term Annotations click to browse term
  CHEBI ontology 2
    role 2
      application 2
        NMR chemical shift reference compound 1
          ammonia 1
            organic amino compound 1
              secondary amino compound 0
                PA-16-0081C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              secondary carboxamide 0
                                                PA-16-0081C 0
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