611896

Source:http://linkedlifedata.com/resource/chembl/compound/611896

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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/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
chemicalCompound:standardIn...	VXPLXMJHHKHSOA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)OC(=O)Nc1ccccc1
chemicalCompound:molecularF...	C10H13NO2
chemicalCompound:moleculeId	611896
chemicalCompound:mwFreebase	179.216
chemicalCompound:alogp	2.319
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	38.33
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.736
chemicalCompound:acdLogP	2.499
chemicalCompound:acdLogD	2.499
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	179.216
chemicalCompound:acdMostBpk...	0.23
chemicalCompound:chemblId	CHEMBL1080996
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:711896
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PROPHAM
chemicalCompound:activity	activity:3218685, activity:6558751, activity:6580961