20818

Source:http://linkedlifedata.com/resource/chembl/compound/20818

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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/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3
chemicalCompound:standardIn...	ASUSBMNYRHGZIG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNCCc1c[nH]c2ccc(O)cc12
chemicalCompound:molecularF...	C11 H14 N2 O
chemicalCompound:moleculeId	20818
chemicalCompound:mwFreebase	190.242
chemicalCompound:alogp	1.74
chemicalCompound:hba	2
chemicalCompound:hbd	3
chemicalCompound:psa	48.05
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.973
chemicalCompound:acdLogP	1.005
chemicalCompound:acdLogD	-1.815
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	190.242
chemicalCompound:acdMostBpk...	10.626
chemicalCompound:chemblId	CHEMBL277362
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:120818
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:48294
chemicalCompound:activity	activity:259822, activity:259823, activity:259824, activity:259825, activity:843716, activity:3618744, activity:3723518, activity:4608884, activity:5002367, activity:5570350, activity:5757526, activity:5795924, activity:5988019, activity:5991592, activity:6022657, activity:6023539, activity:6025930, activity:6885100, activity:7074516