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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:3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
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Accession:CHEBI:119771 term browser browse the term
Definition:A dialkylarylamine that has formula C20H24N4S.
Synonyms:related_synonym: Formula=C20H24N4S;   InChI=1S/C20H24N4S/c1-14-5-7-15(8-6-14)18-13-19(24(22-18)20(25)21-2)16-9-11-17(12-10-16)23(3)4/h5-12,19H,13H2,1-4H3,(H,21,25);   InChIKey=DRGNTWYQJADYTL-UHFFFAOYSA-N;   SMILES=CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)N(C)C)C(=S)NC
 xref: LINCS:LSM-31215


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  CHEBI ontology 498
    role 498
      application 454
        NMR chemical shift reference compound 330
          ammonia 323
            organic amino compound 323
              tertiary amino compound 176
                3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 498
    subatomic particle 498
      composite particle 498
        hadron 498
          baryon 498
            nucleon 498
              atomic nucleus 498
                atom 498
                  main group element atom 491
                    main group molecular entity 491
                      s-block molecular entity 437
                        hydrogen molecular entity 436
                          hydrides 368
                            inorganic hydride 329
                              pnictogen hydride 328
                                nitrogen hydride 328
                                  azane 323
                                    ammonia 323
                                      organic amino compound 323
                                        amine 9
                                          alkylamines 0
                                            dialkylarylamine 0
                                              3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide 0
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