462993

Source:http://linkedlifedata.com/resource/chembl/compound/462993

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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/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
chemicalCompound:standardIn...	RTATXGUCZHCSNG-QHWHWDPRSA-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)cc5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
chemicalCompound:molecularF...	C27H30O15
chemicalCompound:moleculeId	462993
chemicalCompound:mwFreebase	594.518
chemicalCompound:alogp	-0.916
chemicalCompound:hba	15
chemicalCompound:hbd	9
chemicalCompound:psa	245.28
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.201
chemicalCompound:acdLogP	0.42
chemicalCompound:acdLogD	-1.078
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	594.518
chemicalCompound:chemblId	CHEMBL498879
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:562993
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	NICOTIFLOROSIDE
chemicalCompound:activity	activity:2191021, activity:2191022, activity:2320402, activity:2423237, activity:2423250, activity:2555355, activity:2555371, activity:2555387, activity:3067777, activity:3067790, activity:3067803, activity:3067817, activity:3067818, activity:3067847, activity:3067862, activity:3067875, activity:4706149, activity:4711977, activity:4773318, activity:5586220, activity:6552005, activity:6999772, activity:8023444, activity:8059232, activity:8059253, activity:8059274, activity:8059294