451196

Source:http://linkedlifedata.com/resource/chembl/compound/451196

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Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:451196	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:451196	chemicalCompound:standardIn...	InChI=1S/C26H20N4O3/c31-17-7-8-20-19(13-17)22-21(30(20)11-4-10-29-12-9-27-15-29)14-18(16-5-2-1-3-6-16)23-24(22)26(33)28-25(23)32/h1-3,5-9,12-15,31H,4,10-11H2,(H,28,32,33)	lld:chembl
chemicalCompound:451196	chemicalCompound:standardIn...	KSTJZQFBPSHFQK-UHFFFAOYSA-N	lld:chembl
chemicalCompound:451196	chemicalCompound:canonicalS...	Oc1ccc2c(c1)c3c4C(=O)NC(=O)c4c(cc3n2CCCn5ccnc5)c6ccccc6	lld:chembl
chemicalCompound:451196	chemicalCompound:molecularF...	C26H20N4O3	lld:chembl
chemicalCompound:451196	chemicalCompound:moleculeId	451196	lld:chembl
chemicalCompound:451196	chemicalCompound:mwFreebase	436.462	lld:chembl
chemicalCompound:451196	chemicalCompound:alogp	3.436	lld:chembl
chemicalCompound:451196	chemicalCompound:hba	4	lld:chembl
chemicalCompound:451196	chemicalCompound:hbd	2	lld:chembl
chemicalCompound:451196	chemicalCompound:psa	89.15	lld:chembl
chemicalCompound:451196	chemicalCompound:rtb	5	lld:chembl
chemicalCompound:451196	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:451196	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:451196	chemicalCompound:medChemFri...	Y	lld:chembl
chemicalCompound:451196	chemicalCompound:acdMostApk...	9.034	lld:chembl
chemicalCompound:451196	chemicalCompound:acdLogP	4.357	lld:chembl
chemicalCompound:451196	chemicalCompound:acdLogD	4.189	lld:chembl
chemicalCompound:451196	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:451196	chemicalCompound:fullMwt	436.462	lld:chembl
chemicalCompound:451196	chemicalCompound:acdMostBpk...	7.002	lld:chembl
chemicalCompound:451196	chemicalCompound:chemblId	CHEMBL519238	lld:chembl
chemicalCompound:451196	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:451196	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:451196	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:451196	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:451196	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:451196	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:451196	chemicalCompound:oral	No	lld:chembl
chemicalCompound:451196	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:451196	chemicalCompound:topical	No	lld:chembl
chemicalCompound:451196	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:451196	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:451196	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:451196	chemicalCompound:activity	activity:2238801	lld:chembl
chemicalCompound:451196	chemicalCompound:activity	activity:2238802	lld:chembl
chemicalCompound:451196	chemicalCompound:activity	activity:2238803	lld:chembl
chemicalCompound:451196	chemicalCompound:activity	activity:2239639	lld:chembl
http://linkedlifedata.com/r...	http://linkedlifedata.com/r...	chemicalCompound:451196	lld:chembl