106868

Source:http://linkedlifedata.com/resource/chembl/compound/106868

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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/C22H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-21-19(25)22(26)28-20(21)18(24)17-23/h18,20,23-25H,2-17H2,1H3
chemicalCompound:standardIn...	SQYJRUFNBSYSAI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCCCCCOC1=C(O)C(=O)OC1C(O)CO
chemicalCompound:molecularF...	C22 H40 O6
chemicalCompound:moleculeId	106868
chemicalCompound:mwFreebase	400.549
chemicalCompound:alogp	5.32
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	96.22
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.305
chemicalCompound:acdLogP	4.865
chemicalCompound:acdLogD	4.861
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	400.549
chemicalCompound:chemblId	CHEMBL302701
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:206868
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:1305934, activity:1305935, activity:1305936