48839

Source:http://linkedlifedata.com/resource/chembl/compound/48839

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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/C7H14N2O6/c8-7(14)9-6-5(13)4(12)3(11)2(1-10)15-6/h2-6,10-13H,1H2,(H3,8,9,14)
chemicalCompound:standardIn...	FKWQEFWENKGUGF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)NC1OC(CO)C(O)C(O)C1O
chemicalCompound:molecularF...	C7 H14 N2 O6
chemicalCompound:moleculeId	48839
chemicalCompound:mwFreebase	222.196
chemicalCompound:alogp	-2.992
chemicalCompound:hba	6
chemicalCompound:hbd	6
chemicalCompound:psa	145.27
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.507
chemicalCompound:acdLogP	-2.146
chemicalCompound:acdLogD	-2.146
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	222.196
chemicalCompound:chemblId	CHEMBL264233
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148839
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:264880, activity:498316, activity:595608, activity:1088362, activity:1189981, activity:1189982, activity:1304090