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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:4-[4-(3,5-dichlorophenyl)sulfonyl-1-piperazinyl]-2-thiophen-2-ylquinazoline
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Accession:CHEBI:92729 term browser browse the term
Definition:A N-arylpiperazine that has formula C22H18Cl2N4O2S2.
Synonyms:related_synonym: Formula=C22H18Cl2N4O2S2;   InChI=1S/C22H18Cl2N4O2S2/c23-15-12-16(24)14-17(13-15)32(29,30)28-9-7-27(8-10-28)22-18-4-1-2-5-19(18)25-21(26-22)20-6-3-11-31-20/h1-6,11-14H,7-10H2;   InChIKey=JPYVDDQLJKPVJU-UHFFFAOYSA-N;   SMILES=C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CC=CS4)S(=O)(=O)C5=CC(=CC(=C5)Cl)Cl
 xref: LINCS:LSM-2918

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  CHEBI ontology 2
    role 2
      application 2
        NMR chemical shift reference compound 1
          ammonia 1
            organic amino compound 1
              aromatic amine 0
                N-arylpiperazine 0
                  4-[4-(3,5-dichlorophenyl)sulfonyl-1-piperazinyl]-2-thiophen-2-ylquinazoline 0
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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
                                        tertiary amino compound 1
                                          N-arylpiperazine 0
                                            4-[4-(3,5-dichlorophenyl)sulfonyl-1-piperazinyl]-2-thiophen-2-ylquinazoline 0
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