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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:2-(3,4-dimethoxyphenyl)-5-\{[2-(3,4-dimethoxyphenyl)ethyl]amino\}-2-(propan-2-yl)pentanenitrile
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Accession:CHEBI:134080 term browser browse the term
Definition:A secondary amino compound that is 3,4-dimethoxyphenylethylamine in which one of the hydrogens attached to the nitrogen has been replaced by a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.
Synonyms:related_synonym: Formula=C26H36N2O4;   InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3;   InChIKey=UPKQNCPKPOLASS-UHFFFAOYSA-N;   SMILES=O(C=1C=C(CCNCCCC(C2=CC(OC)=C(OC)C=C2)(C(C)C)C#N)C=CC1OC)C


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norverapamil term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp3a9 cytochrome P450, family 3, subfamily a, polypeptide 9 decreases activity ISO norverapamil results in decreased activity of CYP3A5 protein CTD PMID:15689501 NCBI chr12:19,074,288...19,114,491
Ensembl chr12:19,074,583...19,114,399
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Term Annotations click to browse term
  CHEBI ontology 19773
    chemical entity 19773
      group 19692
        pseudohalo group 3024
          cyano group 3024
            nitrile 3024
              2-(3,4-dimethoxyphenyl)-5-\{[2-(3,4-dimethoxyphenyl)ethyl]amino\}-2-(propan-2-yl)pentanenitrile 1
                (R)-norverapamil + 1
                (S)-norverapamil + 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
          baryon 19772
            nucleon 19772
              atomic nucleus 19772
                atom 19772
                  main group element atom 19662
                    main group molecular entity 19662
                      s-block molecular entity 19426
                        hydrogen molecular entity 19420
                          hydrides 18753
                            inorganic hydride 17457
                              pnictogen hydride 17433
                                nitrogen hydride 17280
                                  azane 17015
                                    ammonia 17014
                                      organic amino compound 17013
                                        secondary amino compound 6582
                                          2-(3,4-dimethoxyphenyl)-5-\{[2-(3,4-dimethoxyphenyl)ethyl]amino\}-2-(propan-2-yl)pentanenitrile 1
                                            (R)-norverapamil + 1
                                            (S)-norverapamil + 1
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