645931

Source:http://linkedlifedata.com/resource/chembl/compound/645931

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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/C24H22O8/c1-29-21-11-15(7-9-19(21)25)23(27)31-13-17-5-3-4-6-18(17)14-32-24(28)16-8-10-20(26)22(12-16)30-2/h3-12,25-26H,13-14H2,1-2H3
chemicalCompound:standardIn...	CYTQDYWRDYAMTP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(ccc1O)C(=O)OCc2ccccc2COC(=O)c3ccc(O)c(OC)c3
chemicalCompound:molecularF...	C24H22O8
chemicalCompound:moleculeId	645931
chemicalCompound:mwFreebase	438.427
chemicalCompound:alogp	4.191
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	111.52
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.84
chemicalCompound:acdLogP	5.668
chemicalCompound:acdLogD	5.523
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	438.427
chemicalCompound:chemblId	CHEMBL1164287
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:745931
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:3324421, activity:3324457, activity:3324493, activity:3324529, activity:3345466, activity:3345541, activity:3345577, activity:3345613, activity:3345649, activity:3345685, activity:3345721