462702

Source:http://linkedlifedata.com/resource/chembl/compound/462702

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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/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-16(41-18(20)7-12)11-3-4-13(30)17(5-11)38-2/h3-8,10,19,21-31,33-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
chemicalCompound:standardIn...	LGOQXEQWOCSLEC-CYZBKYQRSA-N
chemicalCompound:canonicalS...	COc1cc(ccc1O)C2=CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc3O2
chemicalCompound:molecularF...	C28H32O15
chemicalCompound:moleculeId	462702
chemicalCompound:mwFreebase	608.545
chemicalCompound:alogp	-0.395
chemicalCompound:hba	15
chemicalCompound:hbd	8
chemicalCompound:psa	234.28
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.079
chemicalCompound:acdLogP	0.04
chemicalCompound:acdLogD	-1.296
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	608.545
chemicalCompound:chemblId	CHEMBL447820
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:562702
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:2320395, activity:2332858, activity:2332891, activity:2423252, activity:2423254