62768

Source:http://linkedlifedata.com/resource/chembl/compound/62768

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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/C16H28O6/c1-2-3-4-5-6-7-8-9-10-21-15-13(19)16(20)22-14(15)12(18)11-17/h12,14,17-19H,2-11H2,1H3
chemicalCompound:standardIn...	KLLFMDSXSMALCD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCOC1=C(O)C(=O)OC1C(O)CO
chemicalCompound:molecularF...	C16 H28 O6
chemicalCompound:moleculeId	62768
chemicalCompound:mwFreebase	316.39
chemicalCompound:alogp	2.582
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	96.22
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.306
chemicalCompound:acdLogP	1.809
chemicalCompound:acdLogD	1.804
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	316.39
chemicalCompound:chemblId	CHEMBL42375
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:162768
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:1192726, activity:1192727, activity:1192728, activity:1192729, activity:1270113, activity:1270114, activity:1270115