831358

Source:http://linkedlifedata.com/resource/chembl/compound/831358

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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/C17H24O8/c18-9-12-14(21)15(22)16(23)17(25-12)24-11(8-13(19)20)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-18,21-23H,6-9H2,(H,19,20)
chemicalCompound:standardIn...	HRYIDVZLDQBLFF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC1OC(OC(CCc2ccccc2)CC(=O)O)C(O)C(O)C1O
chemicalCompound:molecularF...	C17H24O8
chemicalCompound:moleculeId	831358
chemicalCompound:mwFreebase	356.368
chemicalCompound:alogp	0.014
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	136.68
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.178
chemicalCompound:acdLogP	-0.423
chemicalCompound:acdLogD	-3.551
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	356.368
chemicalCompound:chemblId	CHEMBL1407474
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:931358
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:3675675, activity:3699888, activity:3733073, activity:3963772, activity:4054066, activity:4333768, activity:4734041, activity:4832465, activity:4906699, activity:5056031, activity:5332914, activity:5342509, activity:5346936, activity:5473810, activity:5506878, activity:5544216, activity:5618784, activity:5651169, activity:5681199, activity:5799051, activity:5835029, activity:5970231, activity:6477882, activity:6780911, activity:6864987, activity:6874020, activity:6989732, activity:7070830, activity:7223838, activity:10174638, activity:10216975, activity:10423258