20819

Source:http://linkedlifedata.com/resource/chembl/compound/20819

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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/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3
chemicalCompound:standardIn...	LYPCGXKCQDYTFV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(N)Cc1c[nH]c2ccc(O)cc12
chemicalCompound:molecularF...	C11 H14 N2 O
chemicalCompound:moleculeId	20819
chemicalCompound:mwFreebase	190.242
chemicalCompound:alogp	1.686
chemicalCompound:hba	2
chemicalCompound:hbd	3
chemicalCompound:psa	62.04
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.007
chemicalCompound:acdLogP	0.899
chemicalCompound:acdLogD	-1.996
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	190.242
chemicalCompound:acdMostBpk...	10.906
chemicalCompound:chemblId	CHEMBL275854
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:120819
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:48295
chemicalCompound:activity	activity:239377, activity:239378, activity:239379, activity:239380, activity:659720, activity:703262, activity:703263, activity:703264, activity:703265, activity:703266, activity:703267, activity:703268, activity:703269, activity:703270, activity:703271, activity:703272, activity:840000, activity:1010165, activity:1010166, activity:1010167, activity:1010168, activity:1010169, activity:1010170, activity:1669184, activity:1669185, activity:1669186, activity:1669187, activity:1669188, activity:1669190, activity:1669191, activity:1669192, activity:1669193, activity:1669194, activity:1669195, activity:1669521, activity:1669538, activity:5507813, activity:5570149, activity:5702940, activity:5778090