391448

Source:http://linkedlifedata.com/resource/chembl/compound/391448

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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/c1-5-6-7-11(2)17(20)14-8-9-15(13(4)12(14)3)21-10-16(18)19/h8-9H,2,5-7,10H2,1,3-4H3,(H,18,19)
chemicalCompound:standardIn...	ZNFNAZGDZHTZIX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCC(=C)C(=O)c1ccc(OCC(=O)O)c(C)c1C
chemicalCompound:molecularF...	C17 H22 O4
chemicalCompound:moleculeId	391448
chemicalCompound:mwFreebase	290.354
chemicalCompound:alogp	4.52
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.082
chemicalCompound:acdLogP	3.159
chemicalCompound:acdLogD	-0.487
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	290.354
chemicalCompound:chemblId	CHEMBL242505
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:491448
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:1941201, activity:1941224