595758

Source:http://linkedlifedata.com/resource/chembl/compound/595758

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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/C21H22O6/c1-2-3-4-5-6-14-20(26)19-17(25)10-13(22)11-18(19)27-21(14)12-7-8-15(23)16(24)9-12/h7-11,22-25H,2-6H2,1H3
chemicalCompound:standardIn...	OVIAPIYJHWCWDG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
chemicalCompound:molecularF...	C21H22O6
chemicalCompound:moleculeId	595758
chemicalCompound:mwFreebase	370.396
chemicalCompound:alogp	4.895
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	107.22
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.742
chemicalCompound:acdLogP	4.98
chemicalCompound:acdLogD	4.018
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.396
chemicalCompound:chemblId	CHEMBL596552
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:695758
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:3064280, activity:3064287, activity:3064296, activity:3064303, activity:3064312, activity:3064320, activity:3064328, activity:3064336, activity:3064344