795966

Source:http://linkedlifedata.com/resource/chembl/compound/795966

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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/C20H23NO4/c1-3-24-9-10-25-20(23)19-13(2)18-16(21-19)11-15(12-17(18)22)14-7-5-4-6-8-14/h4-8,15,21H,3,9-12H2,1-2H3
chemicalCompound:standardIn...	SXYNSCKJUXXWMT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c3ccccc3
chemicalCompound:molecularF...	C20H23NO4
chemicalCompound:moleculeId	795966
chemicalCompound:mwFreebase	341.401
chemicalCompound:alogp	3.449
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	68.39
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.99
chemicalCompound:acdLogP	1.802
chemicalCompound:acdLogD	1.802
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	341.401
chemicalCompound:chemblId	CHEMBL1372082
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:895966
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:3950526, activity:4414058, activity:4693971, activity:4763541, activity:4843447, activity:5491574, activity:5658592, activity:5670982, activity:5863150, activity:5874811, activity:5880665, activity:6511209, activity:7302952, activity:7446958, activity:7489484, activity:9787117