{"@context":{"obo_purl":"http://purl.obolibrary.org/obo/","rdf":"http://www.w3.org/1999/02/22-rdf-syntax-ns#","owl":"http://www.w3.org/2002/07/owl#","rdfs":"http://www.w3.org/2000/01/rdf-schema#","skos":"http://www.w3.org/2004/02/skos/core#","oboinowl_gen":"http://www.geneontology.org/formats/oboInOwl#","ns0":"http://purl.obolibrary.org/obo/chebi#","ns1":"http://purl.obolibrary.org/obo#","metadata_def":"http://data.bioontology.org/metadata/def/","ns2":"http://purl.obolibrary.org/obo/chebi/"},"@id":"obo_purl:CHEBI_52172","@type":"owl:Class","rdfs:subClassOf":[{"@id":"obo_purl:CHEBI_24532"},{"@id":"obo_purl:CHEBI_37622"}],"rdfs:label":"nilotinib","skos:notation":"CHEBI:52172","oboinowl_gen:hasExactSynonym":["nilotinib","4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide"],"oboinowl_gen:hasDbXref":["CAS:641571-10-0","DrugBank:DB04868","Drug_Central:1932","KEGG:D08953","LINCS:LSM-1099","NCIt:C48375","PMID:19527930","SNOMEDCT:427941004","SNOMEDCT:428468009","Wikipedia:Nilotinib","MESH:C079909","PDBeChem:NIL","PMID:16775235","PMID:17068153","PMID:17090651","PMID:17611564","PMID:17720881","PMID:17958915","PMID:17987222","PMID:18191450","PMID:18318563","PMID:18326784","PMID:18549348","PMID:18922118","PMID:18956997","PMID:19188713","PMID:19427995","PMID:19449194","PMID:19493708","PMID:19519355","PMID:19652056","PMID:27194024","PMID:35333006","PMID:39009709","PMID:39267544","PMID:39459541","PMID:39634983","PMID:39739907","PMID:39887138","PMID:39903581"],"oboinowl_gen:hasOBONamespace":"chebi_ontology","oboinowl_gen:id":"CHEBI:52172","oboinowl_gen:inSubset":{"@id":"ns0:3_STAR"},"ns1:has_role":{"@id":"obo_purl:CHEBI_35610"},"metadata_def:prefLabel":"nilotinib","oboinowl_gen:hasRelatedSynonym":["AMN 107","AMN107","nilotinib","nilotinibum"],"metadata_def:mappingLoom":"nilotinib","metadata_def:mappingSameURI":{"@id":"obo_purl:CHEBI_52172"},"ns2:charge":"0","ns2:formula":"C28H22F3N7O","ns2:inchi":"InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)","ns2:inchikey":"HHZIURLSWUIHRB-UHFFFAOYSA-N","ns2:mass":"529.51580","ns2:monoisotopicmass":"529.18379","ns2:smiles":"Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F"}