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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:N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide
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Accession:CHEBI:115023 term browser browse the term
Definition:A N-arylpiperazine that has formula C19H25N5S.
Synonyms:related_synonym: Formula=C19H25N5S;   InChI=1S/C19H25N5S/c1-2-3-5-16-6-8-17(9-7-16)22-19(25)24-14-12-23(13-15-24)18-20-10-4-11-21-18/h4,6-11H,2-3,5,12-15H2,1H3,(H,22,25);   InChIKey=XZAJBIOTSDUBQE-UHFFFAOYSA-N;   SMILES=CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3
 xref: LINCS:LSM-26485


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      application 19650
        NMR chemical shift reference compound 17958
          ammonia 17818
            organic amino compound 17818
              aromatic amine 15425
                N-arylpiperazine 3434
                  N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    main group molecular entity 19779
                      s-block molecular entity 19617
                        hydrogen molecular entity 19604
                          hydrides 19102
                            inorganic hydride 18114
                              pnictogen hydride 18103
                                nitrogen hydride 18010
                                  azane 17819
                                    ammonia 17818
                                      organic amino compound 17818
                                        tertiary amino compound 10134
                                          N-arylpiperazine 3434
                                            N-(4-butylphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide 0
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