1058817

Source:http://linkedlifedata.com/resource/chembl/compound/1058817

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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/C14H13NO2/c1-10(16)15-13-4-2-3-12(9-13)11-5-7-14(17)8-6-11/h2-9,17H,1H3,(H,15,16)
chemicalCompound:standardIn...	XQOBDZNWQCBRSU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1cccc(c1)c2ccc(O)cc2
chemicalCompound:molecularF...	C14H13NO2
chemicalCompound:moleculeId	1058817
chemicalCompound:mwFreebase	227.259
chemicalCompound:alogp	2.226
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	49.33
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.765
chemicalCompound:acdLogP	2.596
chemicalCompound:acdLogD	2.594
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	227.259
chemicalCompound:acdMostBpk...	0.428
chemicalCompound:chemblId	CHEMBL1644058
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1158817
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:5133178, activity:5133201