176437

Source:http://linkedlifedata.com/resource/chembl/compound/176437

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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/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
chemicalCompound:standardIn...	KQNPFQTWMSNSAP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)C(=O)O
chemicalCompound:molecularF...	C4H8O2
chemicalCompound:moleculeId	176437
chemicalCompound:mwFreebase	88.1051
chemicalCompound:alogp	0.924
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.847
chemicalCompound:acdLogP	0.541
chemicalCompound:acdLogD	-1.986
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	88.1051
chemicalCompound:chemblId	CHEMBL108778
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:276437
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ISOBUTYRIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16135
chemicalCompound:activity	activity:1070340, activity:1070341, activity:1070342, activity:1070343, activity:1070344, activity:1070345, activity:2997987