228674

Source:http://linkedlifedata.com/resource/chembl/compound/228674

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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/C13H15NO/c1-14-9-10-15-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,9-10H2,1H3
chemicalCompound:standardIn...	GYIQQYDOLSGVHC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNCCOc1cccc2ccccc12
chemicalCompound:molecularF...	C13 H15 N O
chemicalCompound:moleculeId	228674
chemicalCompound:mwFreebase	201.264
chemicalCompound:alogp	2.324
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	21.26
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.787
chemicalCompound:acdLogD	0.901
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	201.264
chemicalCompound:acdMostBpk...	9.308
chemicalCompound:chemblId	CHEMBL138958
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:328674
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:243290, activity:243291, activity:652274, activity:652275