851548

Source:http://linkedlifedata.com/resource/chembl/compound/851548

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:27812
chemicalCompound:standardIn...	InChI=1S/C7H16NO2.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
chemicalCompound:standardIn...	ZEHGKSPCAMLJDC-UHFFFAOYSA-M
chemicalCompound:canonicalS...	[Br-].CC(=O)OCC[N+](C)(C)C
chemicalCompound:molecularF...	C7H16BrNO2
chemicalCompound:moleculeId	851548
chemicalCompound:mwFreebase	146.207
chemicalCompound:alogp	-1.195
chemicalCompound:hba	0
chemicalCompound:hbd	4
chemicalCompound:psa	26.3
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-3.404
chemicalCompound:acdLogD	-3.404
chemicalCompound:fullMwt	226.111
chemicalCompound:chemblId	CHEMBL1427664
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:951548
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:55316
chemicalCompound:activity	activity:3768618, activity:3849667, activity:4447030, activity:4601185, activity:4894508, activity:5861840, activity:7149493