@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix cheminf: <http://semanticscience.org/resource/CHEMINF_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix ns1: <http://qudt.org/schema/qudt/> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.14272/CPWLYTQJHPSSFQ-UHFFFAOYSA-N/BFO0000015> a dcat:Dataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ;
            dct:title "ChemDCAT-AP" ] ;
    dct:creator [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Henrik Tappert" ] ;
    dct:description "dataset for process" ;
    dct:identifier "https://doi.org/10.14272/CPWLYTQJHPSSFQ-UHFFFAOYSA-N/BFO0000015" ;
    dct:issued "2025-06-07"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-12-03"^^xsd:date ;
    dct:publisher [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "http://purl.org/adms/publishertype/Academia-ScientificOrganisation" ;
                    skos:prefLabel "Academia/Scientific organisation" ] ;
            foaf:name "Chemotion - Repository " ] ;
    dct:subject <https://doi.org/10.14272/CPWLYTQJHPSSFQ-UHFFFAOYSA-N/BFO0000015#sample> ;
    dct:title "process" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.14272/CPWLYTQJHPSSFQ-UHFFFAOYSA-N/BFO0000015" ],
        [ a adms:Identifier ;
            dct:description "The id of this dataset within the NFDI4Chem Search Service (https://search.nfdi4chem.de/)" ;
            dct:title "Search Service ID" ;
            skos:notation "https://search.nfdi4chem.de/dataset/10-14272-cpwlytqjhpssfq-uhfffaoysa-n-bfo0000015" ] ;
    dcat:landingPage <https://www.chemotion-repository.net/inchikey/CPWLYTQJHPSSFQ-UHFFFAOYSA-N/BFO0000015> ;
    prov:wasGeneratedBy <https://doi.org/10.14272/CPWLYTQJHPSSFQ-UHFFFAOYSA-N/BFO0000015#measurement> .

bfo:0000015 a schema1:DefinedTerm ;
    schema1:name "process" .

<https://doi.org/10.14272/CPWLYTQJHPSSFQ-UHFFFAOYSA-N/BFO0000015#measurement> a bfo:0000015,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.14272/CPWLYTQJHPSSFQ-UHFFFAOYSA-N/BFO0000015#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/175666126> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "COc1ccc(cc1)N(c1ccc(cc1)c1cc2c(s1)ccs2)c1ccc(cc1)c1cc2c(s1)cc(s2)C#Cc1cc2CCc3ccc(CCc1cc2)c(c3)C#C" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "N-[4-[2-[2-(12-ethynyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)ethynyl]thieno[3,2-b]thiophen-5-yl]phenyl]-N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-ylaniline" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "CPWLYTQJHPSSFQ-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C51H35NOS4/c1-3-35-28-33-4-5-34-7-9-37(11-10-36(35)8-6-33)40(29-34)16-25-45-30-50-51(55-45)32-48(57-50)39-14-19-42(20-15-39)52(43-21-23-44(53-2)24-22-43)41-17-12-38(13-18-41)47-31-49-46(56-47)26-27-54-49/h1,6-9,12-15,17-24,26-32H,4-5,10-11H2,2H3" ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C51H35NOS4" ],
        [ a <http://purl.allotrope.org/ontologies/result#AFR_0002409> ;
            dct:title "assigned exact mass" ;
            ns1:hasQuantityKind <http://qudt.org/vocab/quantitykind/MolarMass> ;
            ns1:unit <https://qudt.org/vocab/unit/GM-PER-MOL> ;
            prov:value "806.0897000000004"^^xsd:float ] .

<https://www.chemotion-repository.net/inchikey/CPWLYTQJHPSSFQ-UHFFFAOYSA-N/BFO0000015> a foaf:Document .

<https://doi.org/10.14272/CPWLYTQJHPSSFQ-UHFFFAOYSA-N/BFO0000015#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/175666126> ;
    dct:title "evaluated sample" .