248508

Source:http://linkedlifedata.com/resource/chembl/compound/248508

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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/C14H15NO/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10,14H,11,15H2/t14-/m0/s1
chemicalCompound:standardIn...	VPMNXCAPTJKWHO-AWEZNQCLSA-N
chemicalCompound:canonicalS...	N[C@H](COc1ccccc1)c2ccccc2
chemicalCompound:molecularF...	C14H15NO
chemicalCompound:moleculeId	248508
chemicalCompound:mwFreebase	213.275
chemicalCompound:alogp	2.596
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	35.25
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.264
chemicalCompound:acdLogD	1.258
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	213.275
chemicalCompound:acdMostBpk...	8.365
chemicalCompound:chemblId	CHEMBL150055
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:348508
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:544273, activity:544274, activity:544275, activity:544276, activity:2291562