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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:sildenafil
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Accession:CHEBI:9139 term browser browse the term
Definition:A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position.
Synonyms:exact_synonym: 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
 related_synonym: 1-((3-(4,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine;   Formula=C22H30N6O4S;   InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);   InChIKey=BNRNXUUZRGQAQC-UHFFFAOYSA-N;   SMILES=CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
 alt_id: CHEBI:46436;   CHEBI:600437
 xref: Beilstein:7673458;   CAS:139755-83-2;   DrugBank:DB00203;   Drug_Central:2441;   FooDB:FDB023606;   HMDB:HMDB0005039;   KEGG:C07259;   KEGG:D08514;   LINCS:LSM-3797
 xref_mesh: MESH:C101426
 xref: PDBeChem:VIA;   Patent:EP463756;   Patent:US5250534;   Wikipedia:Sildenafil


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  CHEBI ontology 1268
    role 1268
      application 1227
        pharmaceutical 1222
          drug 1222
            cardiovascular drug 72
              vasodilator agent 31
                sildenafil 0
                  sildenafil citrate 0
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  CHEBI ontology 1268
    subatomic particle 1268
      composite particle 1268
        hadron 1268
          baryon 1268
            nucleon 1268
              atomic nucleus 1268
                atom 1268
                  main group element atom 1261
                    p-block element atom 1261
                      chalcogen 1221
                        oxygen atom 1219
                          oxygen molecular entity 1219
                            hydroxides 1197
                              oxoacid 378
                                chalcogen oxoacid 14
                                  sulfur oxoacid 14
                                    sulfonic acid 13
                                      sulfonic acid derivative 13
                                        sulfonamide 10
                                          sildenafil 0
                                            sildenafil citrate 0
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