644028

Source:http://linkedlifedata.com/resource/chembl/compound/644028

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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/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
chemicalCompound:standardIn...	JVGVDSSUAVXRDY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(Cc1ccc(O)cc1)C(=O)O
chemicalCompound:molecularF...	C9H10O4
chemicalCompound:moleculeId	644028
chemicalCompound:mwFreebase	182.173
chemicalCompound:alogp	0.921
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	77.76
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.801
chemicalCompound:acdLogP	-0.408
chemicalCompound:acdLogD	-3.994
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	182.173
chemicalCompound:chemblId	CHEMBL1162489
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:744028
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:17385
chemicalCompound:activity	activity:2182634, activity:2182683, activity:2182722, activity:2182723, activity:2202412, activity:6204564, activity:6204572