340569

Source:http://linkedlifedata.com/resource/chembl/compound/340569

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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/C15H16O6/c16-10-6-5-8-3-1-2-4-9(8)14(10)21-15-13(19)12(18)11(17)7-20-15/h1-6,11-13,15-19H,7H2/t11-,12+,13-,15+/m1/s1
chemicalCompound:standardIn...	FKURZFYKLFFWGN-COMQUAJESA-N
chemicalCompound:canonicalS...	O[C@@H]1CO[C@@H](Oc2c(O)ccc3ccccc23)[C@H](O)[C@H]1O
chemicalCompound:molecularF...	C15 H16 O6
chemicalCompound:moleculeId	340569
chemicalCompound:mwFreebase	292.284
chemicalCompound:alogp	0.835
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	99.38
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.932
chemicalCompound:acdLogP	0.145
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	292.284
chemicalCompound:chemblId	CHEMBL204598
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:440569
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:1690453, activity:1690466, activity:1690506, activity:1690519, activity:1690550, activity:1690625