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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:pictrelisib
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Accession:CHEBI:65326 term browser browse the term
Definition:A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring.
Synonyms:exact_synonym: 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidine
 related_synonym: Formula=C23H27N7O3S2;   GDC0941;   InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27);   InChIKey=LHNIIDJUOCFXAP-UHFFFAOYSA-N;   SMILES=CS(=O)(=O)N1CCN(CC1)Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc2[nH]ncc12
 xref: CAS:957054-30-7;   KEGG:D10189;   LINCS:LSM-1047;   PDBeChem:GD9;   PMID:20361045;   PMID:22556157;   Reaxys:15630067


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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          sulfur atom 0
            sulfur molecular entity 0
              organosulfur compound 0
                sulfonamide 0
                  pictrelisib 0
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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
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfonic acid 0
                                      sulfonic acid derivative 0
                                        sulfonamide 0
                                          pictrelisib 0
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