623152

Source:http://linkedlifedata.com/resource/chembl/compound/623152

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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/C23H30O7S/c1-4-30-15-7-5-13(6-8-15)9-14-10-16(18(29-3)11-17(14)28-2)23-22(27)21(26)20(25)19(12-24)31-23/h5-8,10-11,19-27H,4,9,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
chemicalCompound:standardIn...	ZRLDSLVOXWXKGN-ZQGJOIPISA-N
chemicalCompound:canonicalS...	CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2OC)cc1
chemicalCompound:molecularF...	C23H30O7S
chemicalCompound:moleculeId	623152
chemicalCompound:mwFreebase	450.545
chemicalCompound:alogp	2.457
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	133.91
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.173
chemicalCompound:acdLogP	4.523
chemicalCompound:acdLogD	4.523
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	450.545
chemicalCompound:chemblId	CHEMBL1090560
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:723152
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:3257535, activity:3257555, activity:3257575