<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_10023"?>
<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:ns4="https://w3id.org/chemrof/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/"
     xmlns:ns3="http://purl.obolibrary.org/obo/">
    


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

    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_key_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/charge"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/generalized_empirical_formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasAlternativeId"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/mass"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/monoisotopic_mass"/>
    


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

    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_10023 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_10023">
        <rdfs:label>voriconazole</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/>
        <ns4:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns4:charge>
        <ns4:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">349.11504</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">349.316</ns4:mass>
        <oboInOwl:id>CHEBI:10023</oboInOwl:id>
        <oboInOwl:hasDbXref>pubmed:12940129</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>BCEHBSKCWLPMDN-MGPLVRAMSA-N</ns4:inchi_key_string>
        <ns4:generalized_empirical_formula>C16H14F3N5O</ns4:generalized_empirical_formula>
        <oboInOwl:hasAlternativeId>CHEBI:127308</oboInOwl:hasAlternativeId>
        <oboInOwl:hasExactSynonym>(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>kegg.drug:D00578</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugbank:DB00582</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>voriconazolum</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>voriconazol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:23392902</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by &lt;em&gt;Scedosporium apiospermum&lt;/em&gt; and &lt;em&gt;Fusarium&lt;/em&gt; spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.</ns3:IAO_0000115>
        <oboInOwl:hasRelatedSynonym>Vfend</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:23766489</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>beilstein:7694998</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C07622</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugcentral:2846</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:22718362</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1</ns4:inchi_string>
        <oboInOwl:hasDbXref>pubmed:23527908</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>VCZ</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>wikipedia.en:Voriconazole</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>patent:EP440372</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:24102553</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:137234-62-9</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-5244</oboInOwl:hasDbXref>
        <ns4:smiles_string>C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F</ns4:smiles_string>
        <oboInOwl:hasDbXref>patent:US5278175</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>voriconazole</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_24532 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24532">
        <rdfs:label>organic heterocyclic compound</rdfs:label>
    </Class>
</rdf:RDF>



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



