272811

Source:http://linkedlifedata.com/resource/chembl/compound/272811

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C13H11N3/c1-9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11/h2-8H,1H3,(H,15,16)
chemicalCompound:standardIn...	HFYFOFMVURXVSD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc2[nH]c(nc2c1)c3ccccn3
chemicalCompound:molecularF...	C13 H11 N3
chemicalCompound:moleculeId	272811
chemicalCompound:mwFreebase	209.247
chemicalCompound:alogp	3.034
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	41.57
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.82
chemicalCompound:acdLogP	2.504
chemicalCompound:acdLogD	2.5
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	209.247
chemicalCompound:acdMostBpk...	4.596
chemicalCompound:chemblId	CHEMBL352049
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:372811
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:728370, activity:1670299, activity:1670339, activity:3353730, activity:3353755, activity:3353781, activity:3353816, activity:3353854, activity:3353893, activity:3354145