59852

Source:http://linkedlifedata.com/resource/chembl/compound/59852

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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/C12H14N2O/c1-15-11-4-2-3-9-7-10-8-13-5-6-14(10)12(9)11/h2-4,7,13H,5-6,8H2,1H3
chemicalCompound:standardIn...	NVWYMOYTOXXDBN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc2cc3CNCCn3c12
chemicalCompound:molecularF...	C12 H14 N2 O
chemicalCompound:moleculeId	59852
chemicalCompound:mwFreebase	202.252
chemicalCompound:alogp	1.747
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	26.19
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.869
chemicalCompound:acdLogD	0.339
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	202.252
chemicalCompound:acdMostBpk...	10.064
chemicalCompound:chemblId	CHEMBL39417
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:159852
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:956218, activity:956219, activity:956220, activity:956221