<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ADO?iri=http://purl.obolibrary.org/obo/CHEBI_41423"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
     xmlns:owl="http://www.w3.org/2002/07/owl#"
     xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"
     xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
     xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
     xmlns:ns2="http://purl.obolibrary.org/obo/"
     xmlns:ns4="http://purl.obolibrary.org/obo/chebi/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000412"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/charge"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/smiles"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchikey"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/monoisotopicmass"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasAlternativeId"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/mass"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Datatypes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Classes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_17792 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_17792">
        <rdfs:label>organohalogen compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_33261 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_33261">
        <rdfs:label>organosulfur compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_41423 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_41423">
        <rdfs:label>celecoxib</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_17792"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33261"/>
        <oboInOwl:hasDbXref>HMDB:HMDB0005014</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>celecoxibum</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasAlternativeId>CHEBI:41418</oboInOwl:hasAlternativeId>
        <oboInOwl:hasRelatedSynonym>p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:21955617</oboInOwl:hasDbXref>
        <ns4:monoisotopicmass>381.07588</ns4:monoisotopicmass>
        <oboInOwl:hasDbXref>CAS:184007-95-2</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:18405470</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:22971036</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:23506230</oboInOwl:hasDbXref>
        <ns4:mass>381.37200</ns4:mass>
        <oboInOwl:hasAlternativeId>CHEBI:3520</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>PMID:19203891</oboInOwl:hasDbXref>
        <ns4:formula>C17H14F3N3O2S</ns4:formula>
        <ns4:charge>0</ns4:charge>
        <oboInOwl:hasRelatedSynonym>Celebrex</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:17983259</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:28166217</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:19137124</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:22419293</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:22141388</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:41423</oboInOwl:id>
        <oboInOwl:hasDbXref>Drug_Central:568</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>celecoxib</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>Reaxys:8280770</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>KEGG:D00567</oboInOwl:hasDbXref>
        <ns2:IAO_0000115>A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis.</ns2:IAO_0000115>
        <ns4:inchikey>RZEKVGVHFLEQIL-UHFFFAOYSA-N</ns4:inchikey>
        <oboInOwl:hasDbXref>PDBeChem:CEL</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>KEGG:C07589</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>Celecoxib</oboInOwl:hasExactSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasExactSynonym>4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>PMID:23296687</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CAS:169590-42-5</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Wikipedia:Celecoxib</oboInOwl:hasDbXref>
        <ns4:inchi>InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)</ns4:inchi>
        <oboInOwl:hasDbXref>LINCS:LSM-2032</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>DrugBank:DB00482</oboInOwl:hasDbXref>
        <ns4:smiles>Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F</ns4:smiles>
        <oboInOwl:inSubset rdf:resource="http://purl.oboInOwllibrary.org/oboInOwl/chebi#3_STAR"/>
        <ns2:IAO_0000412 rdf:resource="http://purl.obolibrary.org/obo/chebi.owl"/>
    </Class>
</rdf:RDF>



<!-- Generated by the OWL API (version 3.2.4.1806) http://owlapi.sourceforge.net -->



