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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 2
    role 2
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        pharmaceutical 2
          drug 2
            cardiovascular drug 0
              vasodilator agent 0
                sildenafil 0
                  sildenafil citrate 0
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  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      chalcogen 2
                        oxygen atom 1
                          oxygen molecular entity 1
                            hydroxides 1
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfonic acid 0
                                      sulfonic acid derivative 0
                                        sulfonamide 0
                                          sildenafil 0
                                            sildenafil citrate 0
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