479918

Source:http://linkedlifedata.com/resource/chembl/compound/479918

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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/C21H24O9/c1-24-12-7-10(8-13(25-2)19(12)27-4)18-17(23)16(22)15-11(30-18)9-14(26-3)20(28-5)21(15)29-6/h7-9,17-18,23H,1-6H3/t17-,18-/m0/s1
chemicalCompound:standardIn...	VKXWZILLSXZFPY-ROUUACIJSA-N
chemicalCompound:canonicalS...	COc1cc2O[C@H]([C@@H](O)C(=O)c2c(OC)c1OC)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C21H24O9
chemicalCompound:moleculeId	479918
chemicalCompound:mwFreebase	420.41
chemicalCompound:alogp	2.349
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	101.91
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.582
chemicalCompound:acdLogP	1.588
chemicalCompound:acdLogD	1.588
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	420.41
chemicalCompound:chemblId	CHEMBL468285
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:579918
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:2636938, activity:2636968, activity:2636975, activity:2636982, activity:2636989