954517

Source:http://linkedlifedata.com/resource/chembl/compound/954517

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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/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3/t11-/m1/s1
chemicalCompound:standardIn...	JZQKKSLKJUAGIC-LLVKDONJSA-N
chemicalCompound:canonicalS...	CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12
chemicalCompound:molecularF...	C14H20N2O2
chemicalCompound:moleculeId	954517
chemicalCompound:mwFreebase	248.321
chemicalCompound:alogp	1.925
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	57.28
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.942
chemicalCompound:acdLogP	1.68
chemicalCompound:acdLogD	-0.502
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	248.321
chemicalCompound:acdMostBpk...	9.541
chemicalCompound:chemblId	CHEMBL1530633
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1054517
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:48280
chemicalCompound:activity	activity:3652914, activity:3707118, activity:3941219, activity:4017078, activity:4747866, activity:4751391, activity:4974040, activity:5002059, activity:5006528, activity:5010513, activity:5037496, activity:5066963, activity:5993632, activity:5993753, activity:6036416, activity:6041354, activity:6044480, activity:6044580, activity:6051870, activity:6055702, activity:6058609, activity:6062871, activity:7435593, activity:7452283, activity:7456907, activity:7487111, activity:7521763