391446

Source:http://linkedlifedata.com/resource/chembl/compound/391446

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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/C18H24O4/c1-6-7-8-11(2)17(19)15-9-10-16(13(4)12(15)3)22-14(5)18(20)21/h9-10,14H,2,6-8H2,1,3-5H3,(H,20,21)
chemicalCompound:standardIn...	WXDNGBVQZSMKFX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCC(=C)C(=O)c1ccc(OC(C)C(=O)O)c(C)c1C
chemicalCompound:molecularF...	C18 H24 O4
chemicalCompound:moleculeId	391446
chemicalCompound:mwFreebase	304.381
chemicalCompound:alogp	5.004
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.13
chemicalCompound:acdLogP	3.513
chemicalCompound:acdLogD	-0.123
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	304.381
chemicalCompound:chemblId	CHEMBL242504
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:491446
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:1941203, activity:1941226