<?xml version="1.0"?>
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    <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"/>
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    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
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    <!-- http://purl.obolibrary.org/obo#has_role -->

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

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24532">
        <rdfs:label>organic heterocyclic compound</rdfs:label>
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    <!-- http://purl.obolibrary.org/obo/CHEBI_53115 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_53115">
        <rdfs:label>8-(3-chlorostyryl)caffeine</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/>
        <rdfs:subClassOf>
            <Restriction>
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        <ns5:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">330.08835</ns5:monoisotopic_mass>
        <ns5:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">330.775</ns5:mass>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns4:IAO_0000115>Caffeine substituted at its 8-position by an (&lt;i&gt;E&lt;/i&gt;)-3-chlorostyryl group.</ns4:IAO_0000115>
        <oboInOwl:hasDbXref>MESH:C081320</oboInOwl:hasDbXref>
        <ns5:inchi_key_string>WBWFIUAVMCNYPG-BQYQJAHWSA-N</ns5:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>beilstein:8153842</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione</oboInOwl:hasExactSynonym>
        <ns5:smiles_string>Cn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O</ns5:smiles_string>
        <ns5:generalized_empirical_formula>C16H15ClN4O2</ns5:generalized_empirical_formula>
        <oboInOwl:hasRelatedSynonym>CSC</oboInOwl:hasRelatedSynonym>
        <ns5:inchi_string>InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+</ns5:inchi_string>
        <oboInOwl:id>CHEBI:53115</oboInOwl:id>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
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    <!-- http://www.ebi.ac.uk/efo/EFO_0001899 -->

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        <rdfs:label>drug role</rdfs:label>
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