448356

Source:http://linkedlifedata.com/resource/chembl/compound/448356

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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/C17H14O5/c1-8-4-10-15(13(5-8)22-3)17(20)14-11(16(10)19)6-9(21-2)7-12(14)18/h4-7,18H,1-3H3
chemicalCompound:standardIn...	UPIWKOZOBCLHSX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(O)c2C(=O)c3c(OC)cc(C)cc3C(=O)c2c1
chemicalCompound:molecularF...	C17H14O5
chemicalCompound:moleculeId	448356
chemicalCompound:mwFreebase	298.29
chemicalCompound:alogp	3.019
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	72.83
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.292
chemicalCompound:acdLogP	3.8
chemicalCompound:acdLogD	2.663
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	298.29
chemicalCompound:chemblId	CHEMBL445726
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:548356
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:2449994, activity:2450003, activity:2450012, activity:2450021, activity:2450398, activity:2450407