106869

Source:http://linkedlifedata.com/resource/chembl/compound/106869

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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/C14H22O7/c1-2-3-4-5-6-9(16)8-20-13-11(18)14(19)21-12(13)10(17)7-15/h10,12,15,17-18H,2-8H2,1H3
chemicalCompound:standardIn...	RCRCVTMRFZAQPQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCC(=O)COC1=C(O)C(=O)OC1C(O)CO
chemicalCompound:molecularF...	C14 H22 O7
chemicalCompound:moleculeId	106869
chemicalCompound:mwFreebase	302.32
chemicalCompound:alogp	0.59
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	113.29
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.024
chemicalCompound:acdLogP	-0.415
chemicalCompound:acdLogD	-0.424
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	302.32
chemicalCompound:chemblId	CHEMBL66916
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:206869
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:1272525, activity:1272526, activity:1272527