391453

Source:http://linkedlifedata.com/resource/chembl/compound/391453

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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/C17H22O4/c1-7-10(2)16(18)14-8-9-15(12(4)11(14)3)21-13(5)17(19)20-6/h8-9,13H,2,7H2,1,3-6H3
chemicalCompound:standardIn...	JHAMUYDNMYWYKU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=C)C(=O)c1ccc(OC(C)C(=O)OC)c(C)c1C
chemicalCompound:molecularF...	C17 H22 O4
chemicalCompound:moleculeId	391453
chemicalCompound:mwFreebase	290.354
chemicalCompound:alogp	4.317
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	52.6
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.44
chemicalCompound:acdLogD	3.44
chemicalCompound:fullMwt	290.354
chemicalCompound:chemblId	CHEMBL241852
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:491453
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:1941196, activity:1941219