604620

Source:http://linkedlifedata.com/resource/chembl/compound/604620

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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/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
chemicalCompound:standardIn...	KKADPXVIOXHVKN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)C(=O)Cc1ccc(O)cc1
chemicalCompound:molecularF...	C9H8O4
chemicalCompound:moleculeId	604620
chemicalCompound:mwFreebase	180.157
chemicalCompound:alogp	1.128
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	74.59
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.495
chemicalCompound:acdLogP	-0.511
chemicalCompound:acdLogD	-4.233
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	180.157
chemicalCompound:chemblId	CHEMBL607712
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:704620
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	4-HYDROXYPHENYLPYRUVIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:15999
chemicalCompound:activity	activity:2182632, activity:2182633, activity:2182682, activity:2202410, activity:2202411, activity:2248966, activity:2248967, activity:2248968, activity:2248969, activity:6204563, activity:6204573