82816

Source:http://linkedlifedata.com/resource/chembl/compound/82816

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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/C23H32O8/c1-12(13(2)24)23-20(31-23)8-15-11-30-19(22(28)21(15)27)10-16(25)9-18(26)14-4-6-17(29-3)7-5-14/h4-7,12-13,15,19-24,27-28H,8-11H2,1-3H3/t12-,13-,15-,19-,20-,21+,22-,23-/m0/s1
chemicalCompound:standardIn...	QSRZFUYBZRSSNF-PDUVUYJXSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C(=O)CC(=O)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O
chemicalCompound:molecularF...	C23 H32 O8
chemicalCompound:moleculeId	82816
chemicalCompound:mwFreebase	436.495
chemicalCompound:alogp	0.65
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	125.82
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.137
chemicalCompound:acdLogP	1.761
chemicalCompound:acdLogD	1.751
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	436.495
chemicalCompound:chemblId	CHEMBL52826
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:182816
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:1127180, activity:1127181, activity:1127182, activity:1127183, activity:1127184, activity:1127185, activity:1127186, activity:1127187, activity:1127188, activity:1127189, activity:1127190