55482

Source:http://linkedlifedata.com/resource/chembl/compound/55482

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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/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27-,29-,30+/m1/s1
chemicalCompound:standardIn...	NSEWTSAADLNHNH-LSBOWGMISA-N
chemicalCompound:canonicalS...	O[C@@H]1Cc2c(O)cc3O[C@@]4(Oc5cc(O)cc(O)c5[C@@H]([C@H]4O)c3c2O[C@@H]1c6ccc(O)c(O)c6)c7ccc(O)c(O)c7
chemicalCompound:molecularF...	C30H24O12
chemicalCompound:moleculeId	55482
chemicalCompound:mwFreebase	576.504
chemicalCompound:alogp	3.758
chemicalCompound:hba	12
chemicalCompound:hbd	9
chemicalCompound:psa	209.75
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.772
chemicalCompound:acdLogP	1.001
chemicalCompound:acdLogD	0.983
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	576.504
chemicalCompound:chemblId	CHEMBL286933
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:155482
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:637623, activity:637624, activity:637625, activity:637626, activity:637627, activity:2178731, activity:2178733, activity:2178735, activity:2178737, activity:2178739, activity:2180166, activity:2180176, activity:2201136, activity:2201193, activity:2201250, activity:2201307, activity:2201365, activity:2532293, activity:2534691, activity:2534692, activity:2534719, activity:2534720, activity:2534747, activity:2534748, activity:2534775, activity:2534776, activity:2534803, activity:2534804, activity:2534831, activity:2534832, activity:2534859, activity:2534860, activity:2534879, activity:2534890, activity:2534891, activity:2534898, activity:2554692, activity:2554693, activity:2554694, activity:2554695, activity:2554696, activity:2554697, activity:8038752, activity:8038756, activity:8038760, activity:8038764, activity:8038768, activity:8038772, activity:8038776, activity:8038780, activity:8038784, activity:8038786, activity:8038790, activity:8038791