335971

Source:http://linkedlifedata.com/resource/chembl/compound/335971

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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/C16H17N3/c1-16(2,3)11-7-8-12-14(10-11)19-15(18-12)13-6-4-5-9-17-13/h4-10H,1-3H3,(H,18,19)
chemicalCompound:standardIn...	RDTMWHSWXWEWOF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1ccc2[nH]c(nc2c1)c3ccccn3
chemicalCompound:molecularF...	C16 H17 N3
chemicalCompound:moleculeId	335971
chemicalCompound:mwFreebase	251.326
chemicalCompound:alogp	3.948
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	41.57
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.82
chemicalCompound:acdLogP	3.799
chemicalCompound:acdLogD	3.795
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	251.326
chemicalCompound:acdMostBpk...	4.628
chemicalCompound:chemblId	CHEMBL198342
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:435971
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:1670295, activity:1670335, activity:3353704, activity:3353709, activity:3353779, activity:3353813, activity:3353890, activity:3354143