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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:BIX-01294 trihydrochloride
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Accession:CHEBI:232399 term browser browse the term
Synonyms:related_synonym: Formula=C28H38N6O2.ClH.ClH.ClH;   InChI=1S/C28H38N6O2.3ClH/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21;;;/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31);3*1H;   InChIKey=FMURUEPQXKJIPS-UHFFFAOYSA-N;   SMILES=CN1CCCN(CC1)C2=NC3=CC(=C(C=C3/C(=N/C4CCN(CC4)CC5=CC=CC=C5)/N2)OC)OC.Cl.Cl.Cl
 xref: CAS:1392399-03-9

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          enzyme inhibitor 0
            EC 2.* (transferase) inhibitor 0
              EC 2.1.* (C1-transferase) inhibitor 0
                EC 2.1.1.* (methyltransferases) inhibitor 0
                  BIX-01294 trihydrochloride 0
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