90015

Source:http://linkedlifedata.com/resource/chembl/compound/90015

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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/C17H11NO7/c19-11-2-1-7(4-12(11)20)16(23)15-9-6-14(22)13(21)5-8(9)3-10(18-15)17(24)25/h1-6,19-22H,(H,24,25)
chemicalCompound:standardIn...	ZCMFEWUYBFMLIN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1cc2cc(O)c(O)cc2c(n1)C(=O)c3ccc(O)c(O)c3
chemicalCompound:molecularF...	C17 H11 N O7
chemicalCompound:moleculeId	90015
chemicalCompound:mwFreebase	341.272
chemicalCompound:alogp	2.51
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	148.18
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.678
chemicalCompound:acdLogP	1.151
chemicalCompound:acdLogD	-2.876
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	341.272
chemicalCompound:acdMostBpk...	3.491
chemicalCompound:chemblId	CHEMBL292700
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:190015
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:158601, activity:158602, activity:158603, activity:158604, activity:158605, activity:158606, activity:1143395, activity:1143396, activity:1173495