49141

Source:http://linkedlifedata.com/resource/chembl/compound/49141

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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/C10H19NO6/c1-2-3-6(13)11-10-9(16)8(15)7(14)5(4-12)17-10/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)
chemicalCompound:standardIn...	XOHMAPSXUCVOKP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC(=O)NC1OC(CO)C(O)C(O)C1O
chemicalCompound:molecularF...	C10 H19 N O6
chemicalCompound:moleculeId	49141
chemicalCompound:mwFreebase	249.261
chemicalCompound:alogp	-1.659
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	119.25
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.001
chemicalCompound:acdLogP	-1.684
chemicalCompound:acdLogD	-1.684
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	249.261
chemicalCompound:chemblId	CHEMBL35302
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:149141
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:247322, activity:493840, activity:600706, activity:1080583, activity:1308376