477580

Source:http://linkedlifedata.com/resource/chembl/compound/477580

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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/C9H16O7/c1-3(10)16-9-7(14)5(12)4(11)6(13)8(9)15-2/h4-9,11-14H,1-2H3/t4-,5-,6-,7-,8+,9+/m0/s1
chemicalCompound:standardIn...	FGTZJZVVBHZFBG-YMJWHCTPSA-N
chemicalCompound:canonicalS...	CO[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)C
chemicalCompound:molecularF...	C9H16O7
chemicalCompound:moleculeId	477580
chemicalCompound:mwFreebase	236.219
chemicalCompound:alogp	-2.277
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	116.45
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.034
chemicalCompound:acdLogP	-0.639
chemicalCompound:acdLogD	-0.639
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	236.219
chemicalCompound:chemblId	CHEMBL502033
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:577580
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:2282987