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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:BPDZ 711
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Accession:CHEBI:138512 term browser browse the term
Definition:A member of the class of chromanes that acts as an inhibitor of histone deacetylase class III and exhibits anti-cancer properties.
Synonyms:exact_synonym: tert-butyl (4-{[(3-cyanophenyl)carbamoyl]amino}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)carbamate
 related_synonym: BPDZ711;   Formula=C24H28N4O4;   InChI=1S/C24H28N4O4/c1-23(2,3)32-22(30)27-17-9-10-20-18(12-17)19(13-24(4,5)31-20)28-21(29)26-16-8-6-7-15(11-16)14-25/h6-12,19H,13H2,1-5H3,(H,27,30)(H2,26,28,29);   InChIKey=CJYMCBSCMOLHIE-UHFFFAOYSA-N;   N-3-cyanophenyl-N'-(6-tert-butoxycarbonylamino-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-4-yl)urea;   SMILES=C=1C=C(C=C(C1)NC(NC2CC(OC=3C2=CC(=CC3)NC(OC(C)(C)C)=O)(C)C)=O)C#N;   tert-butyl N-[4-[(3-cyanophenyl)carbamoylamino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]carbamate
 xref: PMID:27267004;   PMID:28475330;   Pubchem:60141294;   Reaxys:22763649



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Term Annotations click to browse term
  CHEBI ontology 19703
    chemical entity 19702
      group 19663
        pseudohalo group 3922
          cyano group 3922
            nitrile 3922
              BPDZ 711 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19703
    subatomic particle 19702
      composite particle 19702
        hadron 19702
          baryon 19702
            nucleon 19702
              atomic nucleus 19702
                atom 19702
                  main group element atom 19651
                    p-block element atom 19651
                      carbon group element atom 19595
                        carbon atom 19592
                          organic molecular entity 19592
                            organic group 18784
                              organic divalent group 18769
                                organodiyl group 18769
                                  carbonyl group 18735
                                    carbonyl compound 18735
                                      carboxylic acid 18440
                                        carboacyl group 17598
                                          univalent carboacyl group 17598
                                            carbamoyl group 17435
                                              carboxamide 17435
                                                monocarboxylic acid amide 15549
                                                  urea 5141
                                                    ureas 5139
                                                      phenylureas 2069
                                                        BPDZ 711 0
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