48908

Source:http://linkedlifedata.com/resource/chembl/compound/48908

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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/C8H13NO5/c9-2-1-4-6(11)8(13)7(12)5(3-10)14-4/h4-8,10-13H,1,3H2
chemicalCompound:standardIn...	GUAMQCQSVFTRNN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC1OC(CC#N)C(O)C(O)C1O
chemicalCompound:molecularF...	C8 H13 N O5
chemicalCompound:moleculeId	48908
chemicalCompound:mwFreebase	203.193
chemicalCompound:alogp	-2.167
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	113.94
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.13
chemicalCompound:acdLogP	-2.778
chemicalCompound:acdLogD	-2.778
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	203.193
chemicalCompound:chemblId	CHEMBL284388
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:148908
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:239131, activity:438395, activity:505775, activity:608199, activity:1204207, activity:1204208