30148

Source:http://linkedlifedata.com/resource/chembl/compound/30148

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:652323
chemicalCompound:standardIn...	InChI=1S/C11H14N2O2.ClH/c14-10-2-1-9(7-11(10)15)3-5-13-6-4-12-8-13;/h1-2,7-8,14-15H,3-6H2;1H
chemicalCompound:standardIn...	PLUWUCCIEVAVAI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Oc1ccc(CCN2CCN=C2)cc1O
chemicalCompound:molecularF...	C11H15ClN2O2
chemicalCompound:moleculeId	30148
chemicalCompound:mwFreebase	206.241
chemicalCompound:alogp	1
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	56.06
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.816
chemicalCompound:acdLogP	-2.456
chemicalCompound:acdLogD	-4.448
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	242.702
chemicalCompound:acdMostBpk...	11.093
chemicalCompound:chemblId	CHEMBL23941
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:130148
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:622624, activity:622625, activity:622626, activity:622627