506044

Source:http://linkedlifedata.com/resource/chembl/compound/506044

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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/C30H26O14/c31-15-5-3-14(4-6-15)28-29(25(38)23-19(35)10-16(32)11-20(23)42-28)44-30-27(40)26(39)24(37)21(43-30)12-41-22(36)8-2-13-1-7-17(33)18(34)9-13/h1-11,21,24,26-27,30-35,37,39-40H,12H2/b8-2+/t21-,24+,26+,27-,30+/m1/s1
chemicalCompound:standardIn...	GZORMMCZSCNNCI-VSXFDNRNSA-N
chemicalCompound:canonicalS...	O[C@H]1[C@@H](O)[C@@H](COC(=O)\C=C\c2ccc(O)c(O)c2)O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)cc5)[C@@H]1O
chemicalCompound:molecularF...	C30H26O14
chemicalCompound:moleculeId	506044
chemicalCompound:mwFreebase	610.519
chemicalCompound:alogp	1.97
chemicalCompound:hba	14
chemicalCompound:hbd	8
chemicalCompound:psa	232.89
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.201
chemicalCompound:acdLogP	4.493
chemicalCompound:acdLogD	2.992
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	610.519
chemicalCompound:chemblId	CHEMBL503602
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:606044
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:2191007, activity:2191008