3963

Source:http://linkedlifedata.com/resource/chembl/compound/3963

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:3963_HIPPURIC ACID_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
chemicalCompound:standardIn...	QIAFMBKCNZACKA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CNC(=O)c1ccccc1
chemicalCompound:molecularF...	C9H9NO3
chemicalCompound:moleculeId	3963
chemicalCompound:mwFreebase	179.173
chemicalCompound:alogp	0.519
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	66.4
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.71
chemicalCompound:acdLogP	0.757
chemicalCompound:acdLogD	-2.714
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	179.173
chemicalCompound:chemblId	CHEMBL461
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:103963
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	HIPPURIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:18089
chemicalCompound:activity	activity:248595, activity:248596, activity:248597, activity:248598, activity:261213, activity:261214, activity:329795, activity:1289276, activity:1289277, activity:2182624, activity:2182625, activity:2182678, activity:2202402, activity:2202403, activity:2251317, activity:2997998, activity:3623804, activity:4214499, activity:5978073, activity:6204569, activity:6204582, activity:6204583, activity:6531787, activity:7256415