831

Source:http://linkedlifedata.com/resource/chembl/compound/831

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Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:831	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:831	chemicalCompound:standardIn...	InChI=1S/C13H13N5/c14-8-10-1-2-11-12(7-10)16-9-13(17-11)18-5-3-15-4-6-18/h1-2,7,9,15H,3-6H2	lld:chembl
chemicalCompound:831	chemicalCompound:standardIn...	CJYRCGCHBUJFCY-UHFFFAOYSA-N	lld:chembl
chemicalCompound:831	chemicalCompound:canonicalS...	N#Cc1ccc2nc(cnc2c1)N3CCNCC3	lld:chembl
chemicalCompound:831	chemicalCompound:molecularF...	C13 H13 N5	lld:chembl
chemicalCompound:831	chemicalCompound:moleculeId	831	lld:chembl
chemicalCompound:831	chemicalCompound:mwFreebase	239.276	lld:chembl
chemicalCompound:831	chemicalCompound:alogp	0.675	lld:chembl
chemicalCompound:831	chemicalCompound:hba	5	lld:chembl
chemicalCompound:831	chemicalCompound:hbd	1	lld:chembl
chemicalCompound:831	chemicalCompound:psa	64.84	lld:chembl
chemicalCompound:831	chemicalCompound:rtb	1	lld:chembl
chemicalCompound:831	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:831	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:831	chemicalCompound:medChemFri...	Y	lld:chembl
chemicalCompound:831	chemicalCompound:acdLogP	0.317	lld:chembl
chemicalCompound:831	chemicalCompound:acdLogD	-0.567	lld:chembl
chemicalCompound:831	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:831	chemicalCompound:fullMwt	239.276	lld:chembl
chemicalCompound:831	chemicalCompound:acdMostBpk...	8.259	lld:chembl
chemicalCompound:831	chemicalCompound:chemblId	CHEMBL7055	lld:chembl
chemicalCompound:831	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:831	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:831	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:831	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:831	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:831	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:831	chemicalCompound:oral	No	lld:chembl
chemicalCompound:831	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:831	chemicalCompound:topical	No	lld:chembl
chemicalCompound:831	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:831	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:831	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:831	chemicalCompound:activity	activity:1035900	lld:chembl
chemicalCompound:831	chemicalCompound:activity	activity:1035901	lld:chembl
chemicalCompound:831	chemicalCompound:activity	activity:1035902	lld:chembl
chemicalCompound:831	chemicalCompound:activity	activity:1035903	lld:chembl
chemicalCompound:831	chemicalCompound:activity	activity:1035904	lld:chembl
chemicalCompound:831	chemicalCompound:activity	activity:1035905	lld:chembl
http://linkedlifedata.com/r...	http://linkedlifedata.com/r...	chemicalCompound:831	lld:chembl