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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:BAR0329
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Accession:CHEBI:79384 term browser browse the term
Definition:A member of the class of quinolines that is 2-methoixyquinoline carrying additional 4-chlorobenzyl and (4-carboxamidinopiperidin-1-yl)methyl substituents at positions 3 and 6 respectively.
Synonyms:exact_synonym: 4-{[3-(4-chlorobenzyl)-2-methoxyquinolin-6-yl]methyl}piperazine-1-carboximidamide
 related_synonym: Formula=C23H26ClN5O;   InChI=1S/C23H26ClN5O/c1-30-22-19(12-16-2-5-20(24)6-3-16)14-18-13-17(4-7-21(18)27-22)15-28-8-10-29(11-9-28)23(25)26/h2-7,13-14H,8-12,15H2,1H3,(H3,25,26);   InChIKey=MPNSEMULLQLQCF-UHFFFAOYSA-N;   SMILES=COc1nc2ccc(CN3CCN(CC3)C(N)=N)cc2cc1Cc1ccc(Cl)cc1
 xref: PMID:20726898



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Term Annotations click to browse term
  CHEBI ontology 19863
    role 19835
      biological role 19833
        antimicrobial agent 18223
          antifungal agent 17133
            BAR0329 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19863
    subatomic particle 19861
      composite particle 19861
        hadron 19861
          baryon 19861
            nucleon 19861
              atomic nucleus 19861
                atom 19861
                  main group element atom 19807
                    p-block element atom 19807
                      carbon group element atom 19748
                        carbon atom 19744
                          organic molecular entity 19744
                            organic molecule 19695
                              organic cyclic compound 19506
                                carbocyclic compound 18593
                                  benzenoid aromatic compound 18021
                                    benzenes 17888
                                      chlorobenzenes 15063
                                        monochlorobenzenes 12142
                                          BAR0329 0
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