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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:piperaquine
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Accession:CHEBI:91231 term browser browse the term
Definition:An aminoquinoline that is 1,3-di(piperazin-1-yl)propane in which the nitrogen at position 4 of each of the piperazine moieties is replaced by a 7-chloroquinolin-4-yl group.
Synonyms:exact_synonym: 7-chloro-4-(4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl}piperazin-1-yl)quinoline
 related_synonym: 1,3-bis[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propane;   Formula=C29H32Cl2N6;   InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2;   InChIKey=UCRHFBCYFMIWHC-UHFFFAOYSA-N;   SMILES=C12=CC=C(C=C1N=CC=C2N3CCN(CC3)CCCN4CCN(CC4)C=5C=CN=C6C5C=CC(=C6)Cl)Cl;   piperaquinoline
 xref: CAS:4085-31-8;   Drug_Central:4193;   PMID:15610051;   PMID:18378269;   PMID:19773652;   PMID:21914092;   PMID:22515619;   PMID:25221689;   PMID:25748707;   PMID:25975936;   PMID:26695060;   PMID:26821381;   Reaxys:905079;   Wikipedia:Piperaquine

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          heteroatomic molecular entity 0
            halide 0
              organohalogen compound 0
                organochlorine compound 0
                  piperaquine 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        aromatic amine 0
                                          aminoquinoline 0
                                            piperaquine 0
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