422946

Source:http://linkedlifedata.com/resource/chembl/compound/422946

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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/C17H18O3/c1-4-13(12-8-6-5-7-9-12)14-10-15(18)17(20-3)11-16(14)19-2/h4-11,13,18H,1H2,2-3H3/t13-/m0/s1
chemicalCompound:standardIn...	SLLCQEPKLKMZKP-ZDUSSCGKSA-N
chemicalCompound:canonicalS...	COc1cc(OC)c(cc1O)[C@@H](C=C)c2ccccc2
chemicalCompound:molecularF...	C17H18O3
chemicalCompound:moleculeId	422946
chemicalCompound:mwFreebase	270.323
chemicalCompound:alogp	3.847
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	38.69
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.323
chemicalCompound:acdLogP	3.649
chemicalCompound:acdLogD	3.649
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	270.323
chemicalCompound:chemblId	CHEMBL252862
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:522946
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:2071363, activity:2337601, activity:2337644, activity:2337687, activity:2337730, activity:2337773, activity:2358140