420122

Source:http://linkedlifedata.com/resource/chembl/compound/420122

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:420122_ERUBERIN B_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C30H40O15/c1-11-26(44-29-24(38)22(36)20(34)17(9-31)42-29)12(2)28(45-30-25(39)23(37)21(35)18(10-32)43-30)19-15(33)8-16(41-27(11)19)13-4-6-14(40-3)7-5-13/h4-7,15-18,20-25,29-39H,8-10H2,1-3H3/t15-,16+,17-,18-,20-,21-,22+,23+,24-,25-,29+,30+/m1/s1
chemicalCompound:standardIn...	WZHCAAJIMBUYAS-HSKOKGOGSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2C[C@@H](O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(C)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(C)c3O2
chemicalCompound:molecularF...	C30 H40 O15
chemicalCompound:moleculeId	420122
chemicalCompound:mwFreebase	640.63
chemicalCompound:alogp	-0.657
chemicalCompound:hba	15
chemicalCompound:hbd	9
chemicalCompound:psa	237.44
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.741
chemicalCompound:acdLogP	0.011
chemicalCompound:acdLogD	0.011
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	640.63
chemicalCompound:chemblId	CHEMBL398859
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:520122
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ERUBERIN B
chemicalCompound:activity	activity:2060715