41985

Source:http://linkedlifedata.com/resource/chembl/compound/41985

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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/C12H14N4O/c13-11-10(6-15-12(14)16-11)5-8-2-1-3-9(4-8)7-17/h1-4,6,17H,5,7H2,(H4,13,14,15,16)
chemicalCompound:standardIn...	LFEJRVMXZUZEDH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncc(Cc2cccc(CO)c2)c(N)n1
chemicalCompound:molecularF...	C12 H14 N4 O
chemicalCompound:moleculeId	41985
chemicalCompound:mwFreebase	230.266
chemicalCompound:alogp	0.988
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	98.05
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.382
chemicalCompound:acdLogD	0.229
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	230.266
chemicalCompound:acdMostBpk...	7.018
chemicalCompound:chemblId	CHEMBL32067
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:141985
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:58935, activity:58936, activity:346210, activity:417358, activity:417359, activity:485797, activity:513120, activity:636248, activity:656467, activity:667760, activity:900690, activity:1010240, activity:1010241, activity:1015633, activity:1015634, activity:1015635, activity:1015636, activity:1092878, activity:1092879, activity:1179713