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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 22307
    role 22292
      application 21907
        NMR chemical shift reference compound 18857
          ammonia 18496
            organic amino compound 18496
              aromatic amine 15816
                N-arylpiperazine 3417
                  4-[4-(3,5-dichlorophenyl)sulfonyl-1-piperazinyl]-2-thiophen-2-ylquinazoline 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22307
    subatomic particle 22302
      composite particle 22302
        hadron 22302
          baryon 22302
            nucleon 22302
              atomic nucleus 22302
                atom 22302
                  main group element atom 22182
                    main group molecular entity 22182
                      s-block molecular entity 21770
                        hydrogen molecular entity 21685
                          hydrides 20797
                            inorganic hydride 18737
                              pnictogen hydride 18718
                                nitrogen hydride 18593
                                  azane 18497
                                    ammonia 18496
                                      organic amino compound 18496
                                        tertiary amino compound 10327
                                          N-arylpiperazine 3417
                                            4-[4-(3,5-dichlorophenyl)sulfonyl-1-piperazinyl]-2-thiophen-2-ylquinazoline 0
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