649644

Source:http://linkedlifedata.com/resource/chembl/compound/649644

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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/C35H38O17/c1-12-8-20-24(22(40)9-12)28(44)25-21(27(20)43)10-19(11-23(25)41)51-34-33(50-18(7)39)31(48-16(5)37)29(14(3)46-34)52-35-32(49-17(6)38)30(47-15(4)36)26(42)13(2)45-35/h8-11,13-14,26,29-35,40-42H,1-7H3/t13-,14-,26-,29-,30+,31+,32+,33+,34-,35-/m0/s1
chemicalCompound:standardIn...	ZVAOYJUIXGHAOO-JRTOFOEPSA-N
chemicalCompound:canonicalS...	C[C@H]1O[C@H](O[C@@H]2[C@H](C)O[C@@H](Oc3cc(O)c4C(=O)c5c(O)cc(C)cc5C(=O)c4c3)[C@@H](OC(=O)C)[C@@H]2OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1O
chemicalCompound:molecularF...	C35H38O17
chemicalCompound:moleculeId	649644
chemicalCompound:mwFreebase	730.666
chemicalCompound:alogp	2.184
chemicalCompound:hba	17
chemicalCompound:hbd	3
chemicalCompound:psa	236.94
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.96
chemicalCompound:acdLogP	5.854
chemicalCompound:acdLogD	3.716
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	730.666
chemicalCompound:chemblId	CHEMBL1171248
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:749644
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:3362630, activity:3362647, activity:3362659, activity:3362670, activity:3362677