109616

Source:http://linkedlifedata.com/resource/chembl/compound/109616

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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/C7H15NO5/c8-1-3-5(10)7(12)6(11)4(2-9)13-3/h3-7,9-12H,1-2,8H2
chemicalCompound:standardIn...	CGHLMFMBMIQDFZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCC1OC(CO)C(O)C(O)C1O
chemicalCompound:molecularF...	C7H15NO5
chemicalCompound:moleculeId	109616
chemicalCompound:mwFreebase	193.198
chemicalCompound:alogp	-2.974
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	116.17
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.333
chemicalCompound:acdLogP	-3.061
chemicalCompound:acdLogD	-4.897
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	193.198
chemicalCompound:acdMostBpk...	9.523
chemicalCompound:chemblId	CHEMBL71477
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:209616
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:229985, activity:239130, activity:451665, activity:451666, activity:503425, activity:504503, activity:630795, activity:1073395, activity:1268494, activity:1272422