36995

Source:http://linkedlifedata.com/resource/chembl/compound/36995

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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/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
chemicalCompound:standardIn...	ANOUKFYBOAKOIR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CCN)cc1OC
chemicalCompound:molecularF...	C10 H15 N O2
chemicalCompound:moleculeId	36995
chemicalCompound:mwFreebase	181.232
chemicalCompound:alogp	1.224
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	44.48
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.891
chemicalCompound:acdLogD	-1.378
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	181.232
chemicalCompound:acdMostBpk...	9.737
chemicalCompound:chemblId	CHEMBL26019
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:136995
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:136995
chemicalCompound:activity	activity:247378, activity:724359, activity:724360, activity:1159947, activity:1159948, activity:1159949, activity:1773687, activity:1773691, activity:3729519, activity:4481683, activity:4856107, activity:4867218, activity:5528186, activity:5557948, activity:6713572