185262

Source:http://linkedlifedata.com/resource/chembl/compound/185262

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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/C20H18O6/c1-3-24-20(23)12(2)26-15-8-9-16-18(10-15)25-11-17(19(16)22)13-4-6-14(21)7-5-13/h4-12,21H,3H2,1-2H3
chemicalCompound:standardIn...	FIBZTJYDEQEKEI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C(C)Oc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3
chemicalCompound:molecularF...	C20 H18 O6
chemicalCompound:moleculeId	185262
chemicalCompound:mwFreebase	354.353
chemicalCompound:alogp	3.148
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	82.06
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.626
chemicalCompound:acdLogP	3.708
chemicalCompound:acdLogD	3.705
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	354.353
chemicalCompound:chemblId	CHEMBL326236
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:285262
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:784954, activity:784955