479919

Source:http://linkedlifedata.com/resource/chembl/compound/479919

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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/C18H18O8/c1-23-12-7-11-13(18(25-3)17(12)24-2)14(21)15(22)16(26-11)8-4-5-9(19)10(20)6-8/h4-7,15-16,19-20,22H,1-3H3/t15-,16+/m0/s1
chemicalCompound:standardIn...	AJDOXUZMGBDQQH-JKSUJKDBSA-N
chemicalCompound:canonicalS...	COc1cc2O[C@@H]([C@@H](O)C(=O)c2c(OC)c1OC)c3ccc(O)c(O)c3
chemicalCompound:molecularF...	C18H18O8
chemicalCompound:moleculeId	479919
chemicalCompound:mwFreebase	362.331
chemicalCompound:alogp	1.914
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	114.68
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.438
chemicalCompound:acdLogP	-0.114
chemicalCompound:acdLogD	-0.122
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	362.331
chemicalCompound:chemblId	CHEMBL467247
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:579919
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:2636916, activity:2636928, activity:2636939, activity:2636947, activity:2636952, activity:2636957, activity:2636962, activity:2636998, activity:2637001