605836

Source:http://linkedlifedata.com/resource/chembl/compound/605836

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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:605836_Raffinose_OTHER
chemicalCompound:standardIn...	InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1
chemicalCompound:standardIn...	MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
chemicalCompound:molecularF...	C18H32O16
chemicalCompound:moleculeId	605836
chemicalCompound:mwFreebase	504.437
chemicalCompound:alogp	-6.058
chemicalCompound:hba	16
chemicalCompound:hbd	11
chemicalCompound:psa	268.67
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.806
chemicalCompound:acdLogP	-5.104
chemicalCompound:acdLogD	-5.103
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	504.437
chemicalCompound:chemblId	CHEMBL603717
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:705836
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	RAFFINOSE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:16634
chemicalCompound:activity	activity:96662, activity:96663, activity:96664, activity:96665, activity:319386, activity:697932, activity:697933, activity:697934, activity:937834, activity:998693, activity:1406549, activity:1406550, activity:1406551, activity:1406552, activity:1406553, activity:1504566, activity:1810500, activity:1810510, activity:1810520, activity:1810530, activity:1810540, activity:1810550, activity:1810565, activity:1810576, activity:1810584, activity:1810598, activity:1810609, activity:5170259