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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:AFN911
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Accession:CHEBI:187019 term browser browse the term
Synonyms:exact_synonym: N-[4-(hydroxymethyl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexa-1,5-dien-1-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
 related_synonym: Formula=C29H33N7O2;   InChI=1S/C29H33N7O2/c1-35-13-15-36(16-14-35)19-21-4-6-22(7-5-21)28(38)32-25-9-8-24(20-37)27(17-25)34-29-31-12-10-26(33-29)23-3-2-11-30-18-23/h2-12,17-18,24,27,37H,13-16,19-20H2,1H3,(H,32,38)(H,31,33,34);   InChIKey=JBSTUPHUZMAVFU-UHFFFAOYSA-N;   SMILES=OCC1C(NC=2N=C(C=CN2)C=3C=CC=NC3)C=C(NC(=O)C4=CC=C(CN5CCN(CC5)C)C=C4)C=C1
 xref: Chemspider:35032774;   HMDB:HMDB0013863


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5178
    chemical entity 5178
      atom 5169
        nonmetal atom 5135
          nitrogen atom 533
            nitrogen molecular entity 533
              organonitrogen compound 417
                organonitrogen heterocyclic compound 300
                  AFN911 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5178
    subatomic particle 5169
      composite particle 5169
        hadron 5169
          baryon 5169
            nucleon 5169
              atomic nucleus 5169
                atom 5169
                  main group element atom 5141
                    p-block element atom 5138
                      carbon group element atom 5057
                        carbon atom 5056
                          organic molecular entity 5056
                            organic molecule 5004
                              organic cyclic compound 4944
                                organic heterocyclic compound 4732
                                  organonitrogen heterocyclic compound 300
                                    AFN911 0
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