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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class of benzamides that is entinostat in which the hydrogen that is para to the nitrogen of the benzamide moiety has been replaced by a fluorine.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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19908
    role 19883
      biological role 19881
        biochemical role 19571
          apoptosis inducer 13634
            entinostat 2521
              pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19908
    subatomic particle 19906
      composite particle 19906
        hadron 19906
          baryon 19906
            nucleon 19906
              atomic nucleus 19906
                atom 19906
                  main group element atom 19853
                    p-block element atom 19853
                      carbon group element atom 19799
                        carbon atom 19794
                          organic molecular entity 19794
                            organic group 18960
                              organic divalent group 18941
                                organodiyl group 18941
                                  carbonyl group 18893
                                    carbonyl compound 18893
                                      carboxylic acid 18614
                                        carboacyl group 17709
                                          univalent carboacyl group 17709
                                            carbamoyl group 17556
                                              carboxamide 17556
                                                monocarboxylic acid amide 15656
                                                  arenecarboxamide 7600
                                                    benzamides 7600
                                                      entinostat 2521
                                                        pyridin-3-ylmethyl \{4-[(2-amino-4-fluorophenyl)carbamoyl]benzyl\}carbamate 0
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