1170111

Source:http://linkedlifedata.com/resource/chembl/compound/1170111

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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/C12H14O7/c13-4-8-9(16)10(17)11(18)12(19-8)6-3-5(14)1-2-7(6)15/h1-3,8-13,16-18H,4H2/t8-,9-,10+,11-,12+/m1/s1
chemicalCompound:standardIn...	RTLYIKHNOHNQGI-ZIQFBCGOSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=CC(=O)C=CC2=O
chemicalCompound:molecularF...	C12H14O7
chemicalCompound:moleculeId	1170111
chemicalCompound:mwFreebase	270.235
chemicalCompound:alogp	-1.744
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	124.29
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.976
chemicalCompound:acdLogP	-2.111
chemicalCompound:acdLogD	-2.111
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	270.235
chemicalCompound:chemblId	CHEMBL1817918
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1270111
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:6326483