<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ECTO?iri=http://purl.obolibrary.org/obo/CHEBI_65173"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="http://purl.obolibrary.org/obo/chebi/"
     xmlns:chebi="http://purl.obolibrary.org/obo/chebi#3"
     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="http://purl.obolibrary.org/obo/"
     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_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://purl.obolibrary.org/obo/chebi#3_STAR"/>
    <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://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
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://www.w3.org/XML/1998/namespacestring -->

    <rdfs:Datatype rdf:about="http://www.w3.org/XML/1998/namespacestring"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Object Properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/RO_0000087 -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/RO_0000087">
        <rdfs:label xml:lang="en">has role</rdfs:label>
    </ObjectProperty>
    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_26151 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_26151">
        <rdfs:label>piperidines</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35618 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35618">
        <rdfs:label>aromatic ether</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_37143 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_37143">
        <rdfs:label>organofluorine compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_48279 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_48279">
        <rdfs:label>serotonergic antagonist</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_48561 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_48561">
        <rdfs:label>dopaminergic antagonist</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_50996 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_50996">
        <rdfs:label>tertiary amino compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_51545 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_51545">
        <rdfs:label>1,2-benzoxazoles</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_51867 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_51867">
        <rdfs:label rdf:datatype="http://www.w3.org/XML/1998/namespacestring">methyl ketone</rdfs:label>
        <rdfs:label>methyl ketone</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_63534 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_63534">
        <rdfs:label>monoamine</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_65173 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_65173">
        <rdfs:label>iloperidone</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_26151"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35618"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37143"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50996"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_51545"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_51867"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_63534"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_76224"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_48561"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_65191"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_48279"/>
            </Restriction>
        </rdfs:subClassOf>
        <oboInOwl:hasDbXref>PMID:22465688</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethanone</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>PMID:22453868</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Wikipedia:Iloperidone</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>1-[4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1- piperidinyl]propoxy]-3-methoxyphenyl]ethanone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Fanapta</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>KEGG:D02666</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Reaxys:7233425</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:22161738</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:21289324</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Zomaril</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>4&#39;-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3&#39;-methoxyacetophenone</oboInOwl:hasRelatedSynonym>
        <ns5:monoisotopicmass>426.19549</ns5:monoisotopicmass>
        <ns5:inchi>InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3</ns5:inchi>
        <oboInOwl:hasRelatedSynonym>Fanapt</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:21600386</oboInOwl:hasDbXref>
        <ns5:mass>426.48060</ns5:mass>
        <oboInOwl:hasRelatedSynonym>iloperidone</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>iloperidona</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>iloperidonum</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>Drug_Central:3294</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:65173</oboInOwl:id>
        <oboInOwl:hasDbXref>LINCS:LSM-5598</oboInOwl:hasDbXref>
        <ns4:IAO_0000115>A member of the class of piperidines that is the 4-acetyl-2-methoxyphenyl ether of 3-(piperidin-1-yl)propan-1-ol which is substituted at position 4 of the piperidine ring by a 6-fluoro-1,2-benzoxazol-3-yl group. A member of the group of second generation antipsychotics (also known as an atypical antipsychotics), it is used for the treatment of schizophrenia.</ns4:IAO_0000115>
        <ns5:formula>C24H27FN2O4</ns5:formula>
        <ns5:charge>0</ns5:charge>
        <oboInOwl:hasDbXref>PMID:22217439</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:21474903</oboInOwl:hasDbXref>
        <ns5:inchikey>XMXHEBAFVSFQEX-UHFFFAOYSA-N</ns5:inchikey>
        <ns5:smiles>COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O</ns5:smiles>
        <oboInOwl:hasDbXref>CAS:133454-47-4</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>PMID:22617084</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_65191 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_65191">
        <rdfs:label>second generation antipsychotic</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_76224 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_76224">
        <rdfs:label>aromatic ketone</rdfs:label>
    </Class>
</rdf:RDF>



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



