95681

Source:http://linkedlifedata.com/resource/chembl/compound/95681

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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/C13H16N4/c1-2-9-3-5-10(6-4-9)7-11-8-16-13(15)17-12(11)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)
chemicalCompound:standardIn...	XQPXBKQHMJVIHI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1ccc(Cc2cnc(N)nc2N)cc1
chemicalCompound:molecularF...	C13 H16 N4
chemicalCompound:moleculeId	95681
chemicalCompound:mwFreebase	228.293
chemicalCompound:alogp	2.535
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	77.81
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.532
chemicalCompound:acdLogD	2.357
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	228.293
chemicalCompound:acdMostBpk...	7.088
chemicalCompound:chemblId	CHEMBL60029
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:195681
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:986019, activity:986020, activity:986021, activity:986022, activity:986023, activity:986024, activity:986025, activity:986026, activity:986027