66051

Source:http://linkedlifedata.com/resource/chembl/compound/66051

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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/C5H6O4/c1-3(6)2-4(7)5(8)9/h2H2,1H3,(H,8,9)
chemicalCompound:standardIn...	UNRQTHVKJQUDDF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)CC(=O)C(=O)O
chemicalCompound:molecularF...	C5H6O4
chemicalCompound:moleculeId	66051
chemicalCompound:mwFreebase	130.099
chemicalCompound:alogp	-0.418
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	71.44
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.188
chemicalCompound:acdLogP	-1.701
chemicalCompound:acdLogD	-5.504
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	130.099
chemicalCompound:chemblId	CHEMBL46789
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:166051
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:2424
chemicalCompound:activity	activity:205743, activity:321920, activity:2602084