641426

Source:http://linkedlifedata.com/resource/chembl/compound/641426

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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/C12H19NO2/c1-12(2,3)13-8-11(15)9-4-6-10(14)7-5-9/h4-7,11,13-15H,8H2,1-3H3
chemicalCompound:standardIn...	JOGFUYPGDLRKHD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)NCC(O)c1ccc(O)cc1
chemicalCompound:molecularF...	C12H19NO2
chemicalCompound:moleculeId	641426
chemicalCompound:mwFreebase	209.285
chemicalCompound:alogp	1.546
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	52.48
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.975
chemicalCompound:acdLogP	1.402
chemicalCompound:acdLogD	-0.801
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	209.285
chemicalCompound:acdMostBpk...	9.657
chemicalCompound:chemblId	CHEMBL1159887
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:741426
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:507192, activity:507193, activity:886542, activity:886543, activity:886544, activity:886545, activity:886546, activity:886547