46168

Source:http://linkedlifedata.com/resource/chembl/compound/46168

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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/C17H15NO5/c1-10(19)18-13-3-5-14-12(8-13)9-22-15-4-2-11(7-17(20)21)6-16(15)23-14/h2-6,8H,7,9H2,1H3,(H,18,19)(H,20,21)
chemicalCompound:standardIn...	QNWGYBCPFHHVLA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ccc2Oc3cc(CC(=O)O)ccc3OCc2c1
chemicalCompound:molecularF...	C17 H15 N O5
chemicalCompound:moleculeId	46168
chemicalCompound:mwFreebase	313.305
chemicalCompound:alogp	1.912
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	84.86
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.193
chemicalCompound:acdLogP	0.246
chemicalCompound:acdLogD	-2.841
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	313.305
chemicalCompound:acdMostBpk...	0.749
chemicalCompound:chemblId	CHEMBL32218
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:146168
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:1264995, activity:1264996, activity:1264997, activity:1264998, activity:1264999