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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:clorazepic acid
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Accession:CHEBI:3761 term browser browse the term
Definition:A 1,4-benzodiazepinone in which the oxo group is at position 2, and which is substituted at positions 3, 5, and 7 by carboxy, phenyl and chloro groups, respectively.
Synonyms:exact_synonym: 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid
 related_synonym: 7-chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid;   Clorazepate;   Formula=C16H11ClN2O3;   InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22);   InChIKey=XDDJGVMJFWAHJX-UHFFFAOYSA-N;   SMILES=OC(=O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
 xref: Beilstein:757058;   CAS:23887-31-2;   DrugBank:DB00628;   Drug_Central:711;   KEGG:C06921;   Patent:NL6507637;   Patent:US3516988;   Wikipedia:Clorazepate
 cyclic_relationship: is_conjugate_acid_of CHEBI:59590


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  CHEBI ontology 19853
    role 19804
      application 19477
        pro-agent 8870
          prodrug 8625
            clorazepic acid 0
Path 2
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  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic molecule 19568
                              organic cyclic compound 19378
                                organic heterocyclic compound 18495
                                  organonitrogen heterocyclic compound 17564
                                    benzodiazepine 544
                                      1,4-benzodiazepinone 117
                                        clorazepic acid 0
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