106158

Source:http://linkedlifedata.com/resource/chembl/compound/106158

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:106158_SCH-24471_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C16H16N2O/c19-15-12-7-4-8-13(12)18-10-9-17-16(18)14(15)11-5-2-1-3-6-11/h1-3,5-6,19H,4,7-10H2
chemicalCompound:standardIn...	UWEICHIKTAQNIW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC1=C(C2=NCCN2C3=C1CCC3)c4ccccc4
chemicalCompound:molecularF...	C16 H16 N2 O
chemicalCompound:moleculeId	106158
chemicalCompound:mwFreebase	252.311
chemicalCompound:alogp	2.014
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.83
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.01
chemicalCompound:acdLogP	3.013
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	252.311
chemicalCompound:acdMostBpk...	13.541
chemicalCompound:chemblId	CHEMBL70236
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:206158
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:802057, activity:802058, activity:802059, activity:802060, activity:802061, activity:802062