<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/ADO?iri=http://purl.obolibrary.org/obo/CHEBI_73290"?>
<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://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_35352 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35352">
        <rdfs:label>organonitrogen compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_72695 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_72695">
        <rdfs:label>organic molecule</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_73290 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_73290">
        <rdfs:label>PK-11195</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_17792"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35352"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_72695"/>
        <oboInOwl:hasDbXref>PMID:23358477</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:23611861</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>RP 52028</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:22528948</oboInOwl:hasDbXref>
        <ns4:monoisotopicmass>352.13424</ns4:monoisotopicmass>
        <oboInOwl:hasDbXref>CAS:85532-75-8</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns4:smiles>CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl</ns4:smiles>
        <ns2:IAO_0000115>A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine</ns2:IAO_0000115>
        <ns4:charge>0</ns4:charge>
        <oboInOwl:hasDbXref>Wikipedia:PK-11195</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>N-sec-butyl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide</oboInOwl:hasExactSynonym>
        <ns4:inchi>InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3</ns4:inchi>
        <oboInOwl:hasDbXref>PMID:23597562</oboInOwl:hasDbXref>
        <ns4:mass>352.85700</ns4:mass>
        <ns4:inchikey>RAVIZVQZGXBOQO-UHFFFAOYSA-N</ns4:inchikey>
        <oboInOwl:hasRelatedSynonym>1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>LINCS:LSM-1532</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:73290</oboInOwl:id>
        <oboInOwl:hasDbXref>Beilstein:4264456</oboInOwl:hasDbXref>
        <ns4:formula>C21H21ClN2O</ns4:formula>
        <oboInOwl:hasDbXref>Reaxys:4264456</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>PK11195</oboInOwl:hasRelatedSynonym>
        <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 -->



