597282

Source:http://linkedlifedata.com/resource/chembl/compound/597282

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:443348
chemicalCompound:standardIn...	InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1
chemicalCompound:standardIn...	PPASLZSBLFJQEF-RXSVEWSESA-M
chemicalCompound:canonicalS...	[Na+].OC[C@@H](O)[C@H]1OC(=O)C(=C1[O-])O
chemicalCompound:molecularF...	C6H7NaO6
chemicalCompound:moleculeId	597282
chemicalCompound:mwFreebase	176.124
chemicalCompound:alogp	-1.709
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	107.22
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.088
chemicalCompound:acdLogP	-2.779
chemicalCompound:acdLogD	-5.885
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	198.106
chemicalCompound:chemblId	CHEMBL591665
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:697282
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	SODIUM ASCORBATE
chemicalCompound:firstAppro...	2006
chemicalCompound:activity	activity:3116423