153118

Source:http://linkedlifedata.com/resource/chembl/compound/153118

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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/C16H14O7/c17-9-2-1-8-5-10(7-22-13(8)6-9)23-16(21)11-3-4-12(18)15(20)14(11)19/h1-4,6,10,17-20H,5,7H2
chemicalCompound:standardIn...	DKJUMQVLXFGLAB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2CC(COc2c1)OC(=O)c3ccc(O)c(O)c3O
chemicalCompound:molecularF...	C16 H14 O7
chemicalCompound:moleculeId	153118
chemicalCompound:mwFreebase	318.278
chemicalCompound:alogp	2.453
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	116.45
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.417
chemicalCompound:acdLogP	3.496
chemicalCompound:acdLogD	3.093
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	318.278
chemicalCompound:chemblId	CHEMBL96321
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:253118
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:371291, activity:371292