56078

Source:http://linkedlifedata.com/resource/chembl/compound/56078

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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/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-/m1/s1
chemicalCompound:standardIn...	XFZJEEAOWLFHDH-NFJBMHMQSA-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	56078
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	CHEMBL38714
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:156078
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:670699, activity:670700, activity:670701, activity:670702, activity:670703, activity:2178726, activity:2178732, activity:2178734, activity:2178736, activity:2178738, activity:2201141, activity:2201198, activity:2201255, activity:2201312, activity:2201370, activity:2332748, activity:2332766, activity:2332784, activity:2332802, activity:2332820, activity:2332838, activity:2333857, activity:2333875, activity:2333893, activity:2333911, activity:2335501, activity:2427207, activity:2427216, activity:2532294, activity:2534484, activity:2534492, activity:2534498, activity:2534636, activity:2534637, activity:2534638, activity:2534639, activity:2534640, activity:2534641, activity:2534705, activity:2534706, activity:2534733, activity:2534734, activity:2534761, activity:2534762, activity:2534789, activity:2534790, activity:2534817, activity:2534818, activity:2534845, activity:2534846, activity:2534873, activity:2534874, activity:2534875, activity:2534886, activity:2534887, activity:3129856