686811

Source:http://linkedlifedata.com/resource/chembl/compound/686811

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Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:686811	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:686811	chemicalCompound:standardIn...	InChI=1S/C13H13N5/c14-6-8-5-9(7-15)13(17-12(8)16)18-10-1-2-11(18)4-3-10/h5,10-11H,1-4H2,(H2,16,17)	lld:chembl
chemicalCompound:686811	chemicalCompound:standardIn...	UNGNQNNRZDERAB-UHFFFAOYSA-N	lld:chembl
chemicalCompound:686811	chemicalCompound:canonicalS...	Nc1nc(N2C3CCC2CC3)c(cc1C#N)C#N	lld:chembl
chemicalCompound:686811	chemicalCompound:molecularF...	C13H13N5	lld:chembl
chemicalCompound:686811	chemicalCompound:moleculeId	686811	lld:chembl
chemicalCompound:686811	chemicalCompound:mwFreebase	239.276	lld:chembl
chemicalCompound:686811	chemicalCompound:alogp	1.91	lld:chembl
chemicalCompound:686811	chemicalCompound:hba	5	lld:chembl
chemicalCompound:686811	chemicalCompound:hbd	1	lld:chembl
chemicalCompound:686811	chemicalCompound:psa	89.73	lld:chembl
chemicalCompound:686811	chemicalCompound:rtb	1	lld:chembl
chemicalCompound:686811	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:686811	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:686811	chemicalCompound:medChemFri...	Y	lld:chembl
chemicalCompound:686811	chemicalCompound:acdLogP	3.452	lld:chembl
chemicalCompound:686811	chemicalCompound:acdLogD	3.452	lld:chembl
chemicalCompound:686811	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:686811	chemicalCompound:fullMwt	239.276	lld:chembl
chemicalCompound:686811	chemicalCompound:acdMostBpk...	0.522	lld:chembl
chemicalCompound:686811	chemicalCompound:chemblId	CHEMBL1214952	lld:chembl
chemicalCompound:686811	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:686811	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:686811	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:686811	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:686811	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:686811	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:686811	chemicalCompound:oral	No	lld:chembl
chemicalCompound:686811	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:686811	chemicalCompound:topical	No	lld:chembl
chemicalCompound:686811	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:686811	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:686811	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:686811	chemicalCompound:activity	activity:3408755	lld:chembl
chemicalCompound:686811	chemicalCompound:activity	activity:3408781	lld:chembl
chemicalCompound:686811	chemicalCompound:activity	activity:3408807	lld:chembl
chemicalCompound:686811	chemicalCompound:activity	activity:3408833	lld:chembl
http://linkedlifedata.com/r...	http://linkedlifedata.com/r...	chemicalCompound:686811	lld:chembl