495485

Source:http://linkedlifedata.com/resource/chembl/compound/495485

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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/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
chemicalCompound:standardIn...	RGHNJXZEOKUKBD-SQOUGZDYSA-N
chemicalCompound:canonicalS...	OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
chemicalCompound:molecularF...	C6H12O7
chemicalCompound:moleculeId	495485
chemicalCompound:mwFreebase	196.155
chemicalCompound:alogp	-2.813
chemicalCompound:hba	7
chemicalCompound:hbd	6
chemicalCompound:psa	138.45
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.35
chemicalCompound:acdLogP	-2.116
chemicalCompound:acdLogD	-5.814
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	196.155
chemicalCompound:chemblId	CHEMBL464345
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:595485
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	GLUCONIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:33198
chemicalCompound:activity	activity:2599444