1062473

Source:http://linkedlifedata.com/resource/chembl/compound/1062473

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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/C8H7NO4/c1-4-2-3-5(7(10)11)6(9-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
chemicalCompound:standardIn...	PHQBKLKZIXCRIX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(C(=O)O)c(n1)C(=O)O
chemicalCompound:molecularF...	C8H7NO4
chemicalCompound:moleculeId	1062473
chemicalCompound:mwFreebase	181.145
chemicalCompound:alogp	0.65
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	87.49
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.692
chemicalCompound:acdLogP	-0.163
chemicalCompound:acdLogD	-4.289
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	181.145
chemicalCompound:acdMostBpk...	5.356
chemicalCompound:chemblId	CHEMBL1650604
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1162473
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:5193064, activity:5193559, activity:5193596, activity:5193620, activity:5193678, activity:5193748, activity:5193760, activity:5193771, activity:5194327