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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:pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate
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Accession:CHEBI:125311 term browser browse the term
Definition:A member of the class of benzamides that is entinostat in which the hydrogen that is para to the nitrogen of the benzamide moiety has been replaced by a fluorine.
Synonyms:related_synonym: Formula=C21H19FN4O3;   InChI=1S/C21H19FN4O3/c22-17-7-8-19(18(23)10-17)26-20(27)16-5-3-14(4-6-16)12-25-21(28)29-13-15-2-1-9-24-11-15/h1-11H,12-13,23H2,(H,25,28)(H,26,27);   InChIKey=BXLOOKPAMNLACC-UHFFFAOYSA-N;   LSM-44965;   SMILES=C(=O)(OCC1=CN=CC=C1)NCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3N)F
 xref: LINCS:LSM-36782;   Patent:WO2014018979;   Reaxys:26555717



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Term Annotations click to browse term
  CHEBI ontology 19659
    role 19634
      biological role 19633
        biochemical role 19388
          apoptosis inducer 13431
            entinostat 2514
              pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19659
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19700
                atom 19658
                  main group element atom 19607
                    p-block element atom 19607
                      carbon group element atom 19550
                        carbon atom 19547
                          organic molecular entity 19588
                            organic group 18752
                              organic divalent group 18771
                                organodiyl group 18737
                                  carbonyl group 18704
                                    carbonyl compound 18738
                                      carboxylic acid 18409
                                        carboacyl group 17570
                                          univalent carboacyl group 17599
                                            carbamoyl group 17407
                                              carboxamide 17407
                                                monocarboxylic acid amide 15526
                                                  arenecarboxamide 7306
                                                    benzamides 7313
                                                      entinostat 2514
                                                        pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
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