462002

Source:http://linkedlifedata.com/resource/chembl/compound/462002

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1
chemicalCompound:standardIn...	XFZJEEAOWLFHDH-UKWJTHFESA-N
chemicalCompound:canonicalS...	O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5)c2O[C@@H]1c6ccc(O)c(O)c6
chemicalCompound:molecularF...	C30H26O12
chemicalCompound:moleculeId	462002
chemicalCompound:mwFreebase	578.52
chemicalCompound:alogp	3.565
chemicalCompound:hba	12
chemicalCompound:hbd	10
chemicalCompound:psa	220.75
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.289
chemicalCompound:acdLogP	0.981
chemicalCompound:acdLogD	0.975
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	578.52
chemicalCompound:chemblId	CHEMBL504937
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:562002
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:2534642, activity:2534643, activity:2534644, activity:2534645, activity:2534665, activity:2534666, activity:2534667, activity:2534668, activity:2534669, activity:2534670, activity:2534671, activity:2534672, activity:2534673, activity:2534674, activity:2534675, activity:2534676, activity:2534677, activity:2534678, activity:2554671, activity:3129799, activity:3129855, activity:3129893