<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_64053"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="https://w3id.org/chemrof/"
     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:obo="http://purl.obolibrary.org/obo#"
     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="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#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
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


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

    


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

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo#has_role">
        <rdfs:label>has_role</rdfs:label>
    </ObjectProperty>
    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_24431 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24431">
        <rdfs:label>chemical entity</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_64053 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_64053">
        <rdfs:label>4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleate</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24431"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo#has_role"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_48279"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns5:charge>
        <ns5:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">566.16245</ns5:monoisotopic_mass>
        <ns5:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">566.489</ns5:mass>
        <ns5:smiles_string>CN1CCN(c2nc3cc(C(F)(F)F)ccc3n3cccc23)CC1.O=C([O-])/C=CC(=O)[O-].O=C([O-])/C=CC(=O)[O-].[H+].[H+].[H+].[H+]</ns5:smiles_string>
        <ns4:IAO_0000115>A maleate salt that is the dimaleate salt of 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-&lt;em&gt;a&lt;/em&gt;]quinoxaline. A 5-hydroxytryptamine receptor 1B (5-HT&lt;small&gt;&lt;sub&gt;1B&lt;/sub&gt;&lt;/small&gt;) full agonist, 10-fold selective over 5-HT&lt;small&gt;&lt;sub&gt;1A&lt;/sub&gt;&lt;/small&gt; and 1000-fold selective over 5-HT&lt;small&gt;&lt;sub&gt;2C&lt;/sub&gt;&lt;/small&gt; receptors. Centrally active following systemic administration.</ns4:IAO_0000115>
        <oboInOwl:hasRelatedSynonym>CGS 12066B</oboInOwl:hasRelatedSynonym>
        <ns5:generalized_empirical_formula>4H.C17H17F3N4.2C4H2O4</ns5:generalized_empirical_formula>
        <oboInOwl:hasDbXref>MESH:C052561</oboInOwl:hasDbXref>
        <ns5:inchi_key_string>HTEVMLYDEWVIQE-SPIKMXEPSA-N</ns5:inchi_key_string>
        <oboInOwl:hasExactSynonym>4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline di[(2Z)-but-2-enedioate]</oboInOwl:hasExactSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>ChemIDplus:109028-10-6</oboInOwl:hasDbXref>
        <ns5:inchi_string>InChI=1S/C17H17F3N4.2C4H4O4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16;2*5-3(6)1-2-4(7)8/h2-6,11H,7-10H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-</ns5:inchi_string>
        <oboInOwl:hasRelatedSynonym>4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline di[(2Z)-but-2-enedioate]</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:64053</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>CGS 12066B dimaleate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:109028-10-6</oboInOwl:hasDbXref>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
</rdf:RDF>



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



