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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:tandospirone
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Accession:CHEBI:145673 term browser browse the term
Definition:A dicarboximide that is (3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione which is substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 2. It is a potent and selective 5-HT1A receptor partial agonist (Ki = 27 nM).
Synonyms:exact_synonym: (3aR,4S,7R,7aS)-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
 related_synonym: Formula=C21H29N5O2;   InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-;   InChIKey=CEIJFEGBUDEYSX-FZDBZEDMSA-N;   SM-3997;   SMILES=[C@]12([C@@]([C@@]3(C[C@]1(CC3)[H])[H])(C(N(C2=O)CCCCN4CCN(CC4)C5=NC=CC=N5)=O)[H])[H];   tandospirona;   tandospironum
 xref: CAS:87760-53-0;   DrugBank:DB12833;   Drug_Central:2563;   KEGG:D08561;   PMID:18062405;   PMID:1970610;   PMID:1971265;   PMID:1974152;   PMID:1981263;   PMID:20676611;   PMID:24207070;   PMID:25170231;   PMID:2572002;   PMID:25804359;   PMID:25879718;   PMID:26027828;   PMID:2895201;   PMID:2897609;   PMID:2898033;   PMID:29254282;   PMID:29433063;   PMID:30204599;   PMID:30628997;   PMID:30822365;   PMID:31509356;   PMID:31643024;   Wikipedia:Tandospirone
 cyclic_relationship: is_conjugate_base_of CHEBI:145674

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  CHEBI ontology 0
    role 0
      application 0
        pharmaceutical 0
          drug 0
            central nervous system drug 0
              psychotropic drug 0
                antidepressant 0
                  tandospirone 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
                                        tertiary amino compound 0
                                          N-alkylpiperazine 0
                                            tandospirone 0
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