491129

Source:http://linkedlifedata.com/resource/chembl/compound/491129

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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/C14H20N2O3/c1-3-19-10-13(16-11(2)17)14(18)15-9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,18)(H,16,17)/t13-/m1/s1
chemicalCompound:standardIn...	VEEHBRVUEHYHQQ-CYBMUJFWSA-N
chemicalCompound:canonicalS...	CCOC[C@H](NC(=O)C)C(=O)NCc1ccccc1
chemicalCompound:molecularF...	C14H20N2O3
chemicalCompound:moleculeId	491129
chemicalCompound:mwFreebase	264.32
chemicalCompound:alogp	0.37
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.43
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.237
chemicalCompound:acdLogD	1.237
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	264.32
chemicalCompound:chemblId	CHEMBL476740
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:591129
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:2486484, activity:2486492, activity:2486497, activity:3401413, activity:3401445, activity:3401471, activity:3401480, activity:3401501, activity:3401519