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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:amodiaquine
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Accession:CHEBI:2674 term browser browse the term
Definition:A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position.
Synonyms:exact_synonym: 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol
 related_synonym: Formula=C20H22ClN3O;   InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);   InChIKey=OVCDSSHSILBFBN-UHFFFAOYSA-N;   SMILES=CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O;   amodiaquina;   amodiaquinum
 xref: Beilstein:300962;   CAS:86-42-0;   DrugBank:DB00613;   Drug_Central:186;   KEGG:C07626;   KEGG:D02922;   LINCS:LSM-4042
 xref_mesh: MESH:D000655
 xref: PDBeChem:CQA;   PMID:11044276;   PMID:11971651;   PMID:17046445;   PMID:17222819;   PMID:18419816;   PMID:18855526;   PMID:19024339;   PMID:19245687;   PMID:26206402;   PMID:26597254;   PMID:26647924;   PMID:26735991;   PMID:26851641;   PMID:26900802;   PMID:26930583;   PMID:27031231;   PMID:8885219;   Patent:US2474821;   Reaxys:300962;   Wikipedia:Amodiaquine
 cyclic_relationship: is_conjugate_base_of CHEBI:131327

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  CHEBI ontology 2
    role 2
      application 2
        pro-agent 0
          prodrug 0
            amodiaquine 0
              amodiaquine hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    main group molecular entity 2
                      s-block molecular entity 1
                        hydrogen molecular entity 1
                          hydrides 1
                            inorganic hydride 1
                              pnictogen hydride 1
                                nitrogen hydride 1
                                  azane 1
                                    ammonia 1
                                      organic amino compound 1
                                        aromatic amine 0
                                          aminoquinoline 0
                                            amodiaquine 0
                                              amodiaquine hydrochloride 0
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