82812

Source:http://linkedlifedata.com/resource/chembl/compound/82812

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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/C16H17NO3/c1-17(19)16(18)11-13-7-9-15(10-8-13)20-12-14-5-3-2-4-6-14/h2-10,19H,11-12H2,1H3
chemicalCompound:standardIn...	MYMPWMRYZURXNI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
chemicalCompound:molecularF...	C16 H17 N O3
chemicalCompound:moleculeId	82812
chemicalCompound:mwFreebase	271.311
chemicalCompound:alogp	2.652
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.089
chemicalCompound:acdLogP	2.25
chemicalCompound:acdLogD	2.241
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	271.311
chemicalCompound:chemblId	CHEMBL54453
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:182812
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:102830, activity:102831, activity:102832, activity:102833, activity:102834, activity:102835, activity:102836, activity:102837, activity:102838, activity:102839, activity:102840