481003

Source:http://linkedlifedata.com/resource/chembl/compound/481003

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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/C18H18O7/c1-22-10-6-4-9(5-7-10)17-16(21)15(20)13-11(25-17)8-12(23-2)14(19)18(13)24-3/h4-8,16-17,19,21H,1-3H3/t16-,17+/m0/s1
chemicalCompound:standardIn...	HQEILWYNLWGUCL-DLBZAZTESA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@H]2Oc3cc(OC)c(O)c(OC)c3C(=O)[C@@H]2O
chemicalCompound:molecularF...	C18H18O7
chemicalCompound:moleculeId	481003
chemicalCompound:mwFreebase	346.331
chemicalCompound:alogp	2.156
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	94.45
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.465
chemicalCompound:acdLogP	2.096
chemicalCompound:acdLogD	2.092
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	346.331
chemicalCompound:chemblId	CHEMBL468316
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:581003
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:2636922, activity:2636933, activity:2636944, activity:2636949, activity:2636954, activity:2636959, activity:2636996