697997

Source:http://linkedlifedata.com/resource/chembl/compound/697997

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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/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1
chemicalCompound:standardIn...	IZFHEQBZOYJLPK-SSDOTTSWSA-N
chemicalCompound:canonicalS...	OC(=O)CCCC[C@@H](S)CCS
chemicalCompound:molecularF...	C8H16O2S2
chemicalCompound:moleculeId	697997
chemicalCompound:mwFreebase	208.341
chemicalCompound:alogp	2.099
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	114.9
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.745
chemicalCompound:acdLogP	2.073
chemicalCompound:acdLogD	-0.559
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	208.341
chemicalCompound:chemblId	CHEMBL1235647
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:797997
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	DIHYDROLIPOIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:45230
chemicalCompound:activity	activity:1874081, activity:1874083, activity:3295411, activity:3295458, activity:3295505, activity:3295552, activity:3296654, activity:3296701, activity:3296748, activity:3296795, activity:3296842, activity:3296889, activity:3296936, activity:3296983, activity:3298059, activity:3298106, activity:3298153, activity:3298201, activity:3298205, activity:3298251, activity:3298297, activity:3298343, activity:3298395, activity:3463476