49175

Source:http://linkedlifedata.com/resource/chembl/compound/49175

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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/C8H16N2O6/c9-1-4(12)10-8-7(15)6(14)5(13)3(2-11)16-8/h3,5-8,11,13-15H,1-2,9H2,(H,10,12)
chemicalCompound:standardIn...	AVDOUEOFSCXBTB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCC(=O)NC1OC(CO)C(O)C(O)C1O
chemicalCompound:molecularF...	C8 H16 N2 O6
chemicalCompound:moleculeId	49175
chemicalCompound:mwFreebase	236.222
chemicalCompound:alogp	-3.744
chemicalCompound:hba	7
chemicalCompound:hbd	6
chemicalCompound:psa	145.27
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.492
chemicalCompound:acdLogP	-3.096
chemicalCompound:acdLogD	-3.264
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	236.222
chemicalCompound:acdMostBpk...	7.657
chemicalCompound:chemblId	CHEMBL539161
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:149175
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:244546, activity:500839, activity:604531, activity:1075899, activity:1276350