645934

Source:http://linkedlifedata.com/resource/chembl/compound/645934

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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/C22H24O8/c1-27-19-11-13(7-9-15(19)23)21(25)29-17-5-3-4-6-18(17)30-22(26)14-8-10-16(24)20(12-14)28-2/h7-12,17-18,23-24H,3-6H2,1-2H3/t17-,18-/m0/s1
chemicalCompound:standardIn...	CJJVDYUOTKHCBA-ROUUACIJSA-N
chemicalCompound:canonicalS...	COc1cc(ccc1O)C(=O)O[C@H]2CCCC[C@@H]2OC(=O)c3ccc(O)c(OC)c3
chemicalCompound:molecularF...	C22H24O8
chemicalCompound:moleculeId	645934
chemicalCompound:mwFreebase	416.421
chemicalCompound:alogp	4.103
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	111.52
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.909
chemicalCompound:acdLogP	5.517
chemicalCompound:acdLogD	5.392
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	416.421
chemicalCompound:chemblId	CHEMBL1164820
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:745934
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:3324418, activity:3324454, activity:3324490, activity:3324526, activity:3345463, activity:3345538, activity:3345574, activity:3345610, activity:3345646, activity:3345682, activity:3345718