159719

Source:http://linkedlifedata.com/resource/chembl/compound/159719

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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/C17H13NO3/c19-15-10-14(11-5-2-1-3-6-11)18-17-12(9-16(20)21)7-4-8-13(15)17/h1-8,10H,9H2,(H,18,19)(H,20,21)
chemicalCompound:standardIn...	QKWIYUWGRZVUIJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)Cc1cccc2c(O)cc(nc12)c3ccccc3
chemicalCompound:molecularF...	C17 H13 N O3
chemicalCompound:moleculeId	159719
chemicalCompound:mwFreebase	279.29
chemicalCompound:alogp	3.385
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	70.42
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.212
chemicalCompound:acdLogP	2.951
chemicalCompound:acdLogD	-0.545
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	279.29
chemicalCompound:acdMostBpk...	10.918
chemicalCompound:chemblId	CHEMBL99525
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:259719
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:558448, activity:558449, activity:558450, activity:558451, activity:558452, activity:558453, activity:558454, activity:558455