49158

Source:http://linkedlifedata.com/resource/chembl/compound/49158

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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/C8H15NO6/c1-9-8(14)7-6(13)5(12)4(11)3(2-10)15-7/h3-7,10-13H,2H2,1H3,(H,9,14)
chemicalCompound:standardIn...	GLOZHHWMZYAHBQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)C1OC(CO)C(O)C(O)C1O
chemicalCompound:molecularF...	C8 H15 N O6
chemicalCompound:moleculeId	49158
chemicalCompound:mwFreebase	221.208
chemicalCompound:alogp	-2.979
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	119.25
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.794
chemicalCompound:acdLogP	-2.115
chemicalCompound:acdLogD	-2.115
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	221.208
chemicalCompound:chemblId	CHEMBL35946
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:149158
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:229986, activity:452987, activity:454330, activity:504504, activity:594275, activity:606835, activity:1083996, activity:1099515, activity:1285169