2885

Source:http://linkedlifedata.com/resource/chembl/compound/2885

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:2885_MALONIC ACID_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
chemicalCompound:standardIn...	OFOBLEOULBTSOW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CC(=O)O
chemicalCompound:molecularF...	C3H4O4
chemicalCompound:moleculeId	2885
chemicalCompound:mwFreebase	104.061
chemicalCompound:alogp	-0.394
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	74.59
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.924
chemicalCompound:acdLogP	-0.674
chemicalCompound:acdLogD	-5.354
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	104.061
chemicalCompound:chemblId	CHEMBL7942
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102885
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	MALONIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:30794
chemicalCompound:activity	activity:104412, activity:131654, activity:131655, activity:438693, activity:2715730, activity:2715743, activity:2715744, activity:2715745, activity:3022031