378065

Source:http://linkedlifedata.com/resource/chembl/compound/378065

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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:378065_NSC-115918_RESEARCH_CODE, synonym:378065_Rutoside_INN
chemicalCompound:standardIn...	InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
chemicalCompound:standardIn...	IKGXIBQEEMLURG-NVPNHPEKSA-N
chemicalCompound:canonicalS...	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
chemicalCompound:molecularF...	C27H30O16
chemicalCompound:moleculeId	378065
chemicalCompound:mwFreebase	610.518
chemicalCompound:alogp	-1.158
chemicalCompound:hba	16
chemicalCompound:hbd	10
chemicalCompound:psa	265.52
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.172
chemicalCompound:acdLogP	-0.903
chemicalCompound:acdLogD	-2.439
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	610.518
chemicalCompound:chemblId	CHEMBL226335
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:478065
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	RUTOSIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:28527
chemicalCompound:activity	activity:1083231, activity:1277401, activity:1277402, activity:1277403, activity:1864780, activity:1864794, activity:1864808, activity:1864822, activity:1864836, activity:1865491, activity:1888619, activity:1949793, activity:1951244, activity:1951245, activity:1951246, activity:2063642, activity:2174869, activity:2174887, activity:2174905, activity:2174919, activity:2176256, activity:2176269, activity:2176288, activity:2180309, activity:2180317, activity:2191025, activity:2191026, activity:2196021, activity:2196045, activity:2196069, activity:2196191, activity:2299289, activity:2309636, activity:2309649, activity:2313884, activity:2317666, activity:2317682, activity:2317705, activity:2317712, activity:2317719, activity:2317906, activity:2317911, activity:2320401, activity:2328585, activity:2332862, activity:2332895, activity:2335545, activity:2423238, activity:2423244, activity:2423256, activity:2426484, activity:2430957, activity:2442579, activity:2442580, activity:2442581, activity:2442582, activity:2442604, activity:2442607, activity:2442610, activity:2443323, activity:2443331, activity:2444403, activity:2444405