107819

Source:http://linkedlifedata.com/resource/chembl/compound/107819

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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/C9H12O7/c1-4(11)3-15-8-6(13)7(5(12)2-10)16-9(8)14/h5,7,10,12,14H,2-3H2,1H3
chemicalCompound:standardIn...	VXKXIIGAQNDFQT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)COC1=C(O)OC(C(O)CO)C1=O
chemicalCompound:molecularF...	C9 H12 O7
chemicalCompound:moleculeId	107819
chemicalCompound:mwFreebase	232.187
chemicalCompound:alogp	-1.552
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	113.29
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	-0.777
chemicalCompound:acdLogD	-3.58
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	232.187
chemicalCompound:chemblId	CHEMBL419442
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:207819
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:1281583, activity:1281584, activity:1281585