315202

Source:http://linkedlifedata.com/resource/chembl/compound/315202

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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/C12H14N6/c1-3-18-9-4-5-14-6-8(9)15-12(18)10-7(2)16-17-11(10)13/h4-6H,3H2,1-2H3,(H3,13,16,17)
chemicalCompound:standardIn...	USQOEHXTPVWMTN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCn1c(nc2cnccc12)c3c(C)n[nH]c3N
chemicalCompound:molecularF...	C12 H14 N6
chemicalCompound:moleculeId	315202
chemicalCompound:mwFreebase	242.28
chemicalCompound:alogp	0.779
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	85.41
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.743
chemicalCompound:acdLogD	-0.744
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	242.28
chemicalCompound:acdMostBpk...	4.27
chemicalCompound:chemblId	CHEMBL361678
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:415202
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:1475801