793127

Source:http://linkedlifedata.com/resource/chembl/compound/793127

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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/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3
chemicalCompound:standardIn...	RZKYEQDPDZUERB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O
chemicalCompound:molecularF...	C14H14O3
chemicalCompound:moleculeId	793127
chemicalCompound:mwFreebase	230.259
chemicalCompound:alogp	2.577
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	51.21
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.473
chemicalCompound:acdLogP	1.543
chemicalCompound:acdLogD	-0.941
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	230.259
chemicalCompound:chemblId	CHEMBL1369243
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:893127
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:3774721, activity:3951271, activity:4076540, activity:4106309, activity:4147508, activity:4670697, activity:4790213, activity:4849389, activity:4880893, activity:5065241, activity:6445112, activity:6558622, activity:6739241, activity:7059253, activity:7460860, activity:7550101