80899

Source:http://linkedlifedata.com/resource/chembl/compound/80899

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Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:80899	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:80899	chemicalCompound:standardIn...	InChI=1S/C12H9ClFN5O/c13-8-3-6(1-2-9(8)14)4-15-12-17-10-7(5-16-19-10)11(20)18-12/h1-3,5H,4H2,(H3,15,16,17,18,19,20)	lld:chembl
chemicalCompound:80899	chemicalCompound:standardIn...	WMRLFBRIIDHXEC-UHFFFAOYSA-N	lld:chembl
chemicalCompound:80899	chemicalCompound:canonicalS...	Oc1[nH]c(NCc2ccc(F)c(Cl)c2)nc3nncc13	lld:chembl
chemicalCompound:80899	chemicalCompound:molecularF...	C12 H9 Cl F N5 O	lld:chembl
chemicalCompound:80899	chemicalCompound:moleculeId	80899	lld:chembl
chemicalCompound:80899	chemicalCompound:mwFreebase	293.684	lld:chembl
chemicalCompound:80899	chemicalCompound:alogp	1.845	lld:chembl
chemicalCompound:80899	chemicalCompound:hba	5	lld:chembl
chemicalCompound:80899	chemicalCompound:hbd	3	lld:chembl
chemicalCompound:80899	chemicalCompound:psa	86.72	lld:chembl
chemicalCompound:80899	chemicalCompound:rtb	3	lld:chembl
chemicalCompound:80899	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:80899	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:80899	chemicalCompound:medChemFri...	Y	lld:chembl
chemicalCompound:80899	chemicalCompound:acdMostApk...	2.165	lld:chembl
chemicalCompound:80899	chemicalCompound:acdLogP	1.315	lld:chembl
chemicalCompound:80899	chemicalCompound:acdLogD	-1.185	lld:chembl
chemicalCompound:80899	chemicalCompound:molecularS...	molecularSpecies:ZWITTERION	lld:chembl
chemicalCompound:80899	chemicalCompound:fullMwt	293.684	lld:chembl
chemicalCompound:80899	chemicalCompound:acdMostBpk...	12.113	lld:chembl
chemicalCompound:80899	chemicalCompound:chemblId	CHEMBL53589	lld:chembl
chemicalCompound:80899	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:80899	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:80899	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:80899	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:80899	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:80899	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:80899	chemicalCompound:oral	No	lld:chembl
chemicalCompound:80899	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:80899	chemicalCompound:topical	No	lld:chembl
chemicalCompound:80899	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:80899	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:80899	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:80899	chemicalCompound:activity	activity:53591	lld:chembl
http://linkedlifedata.com/r...	http://linkedlifedata.com/r...	chemicalCompound:80899	lld:chembl