798874

Source:http://linkedlifedata.com/resource/chembl/compound/798874

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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/C18H18N2O3/c1-12-7-6-8-13(2)17(12)19-16(21)11-15(18(19)22)20(23)14-9-4-3-5-10-14/h3-10,15,23H,11H2,1-2H3
chemicalCompound:standardIn...	YDGKEUGHLCDTES-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(C)c1N2C(=O)CC(N(O)c3ccccc3)C2=O
chemicalCompound:molecularF...	C18H18N2O3
chemicalCompound:moleculeId	798874
chemicalCompound:mwFreebase	310.347
chemicalCompound:alogp	3.484
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	60.85
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.938
chemicalCompound:acdLogP	2.109
chemicalCompound:acdLogD	1.447
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	310.347
chemicalCompound:acdMostBpk...	1.442
chemicalCompound:chemblId	CHEMBL1374990
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:898874
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:4138502, activity:4319908, activity:4818791, activity:4822574, activity:4906305, activity:5736664, activity:5860183, activity:6790961, activity:6802950