565465

Source:http://linkedlifedata.com/resource/chembl/compound/565465

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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/C17H16N2O4/c20-12-2-3-14-13(8-12)11(9-19-14)5-6-18-17(23)10-1-4-15(21)16(22)7-10/h1-4,7-9,19-22H,5-6H2,(H,18,23)
chemicalCompound:standardIn...	UYVJAIZMSPRFQW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2[nH]cc(CCNC(=O)c3ccc(O)c(O)c3)c2c1
chemicalCompound:molecularF...	C17H16N2O4
chemicalCompound:moleculeId	565465
chemicalCompound:mwFreebase	312.32
chemicalCompound:alogp	2.51
chemicalCompound:hba	4
chemicalCompound:hbd	5
chemicalCompound:psa	105.58
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.377
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	0.933
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	312.32
chemicalCompound:chemblId	CHEMBL552171
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:665465
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:2692240, activity:2692254, activity:2692273, activity:2692292, activity:2692311, activity:2692330, activity:2692346, activity:2692347, activity:2692348, activity:2692349, activity:2692350, activity:2692356