751380

Source:http://linkedlifedata.com/resource/chembl/compound/751380

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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/C17H16N2O2/c1-11-7-12(2)9-13(8-11)17(21)19-10-16(20)18-14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3,(H,18,20)
chemicalCompound:standardIn...	HZVVNFUIEIANJX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)cc(c1)C(=O)N2CC(=O)Nc3ccccc23
chemicalCompound:molecularF...	C17H16N2O2
chemicalCompound:moleculeId	751380
chemicalCompound:mwFreebase	280.321
chemicalCompound:alogp	2.599
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	49.41
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.762
chemicalCompound:acdLogP	3.219
chemicalCompound:acdLogD	3.219
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	280.321
chemicalCompound:acdMostBpk...	1.185
chemicalCompound:chemblId	CHEMBL1327496
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:851380
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:3634424, activity:3656930, activity:3697994, activity:3700279, activity:3942610, activity:4128076, activity:4468999, activity:4754064, activity:4763359, activity:4839483, activity:4905842, activity:4908549, activity:4957731, activity:5000635, activity:5435152, activity:5570816, activity:5585935, activity:5656695, activity:5661281, activity:5792807, activity:5856873, activity:5861082, activity:5878767, activity:6752354, activity:7195419, activity:7290682, activity:7348530, activity:7508932, activity:9791018