391440

Source:http://linkedlifedata.com/resource/chembl/compound/391440

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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/C14H15ClO4/c1-4-8(2)13(16)11-6-5-10(7-12(11)15)19-9(3)14(17)18/h5-7,9H,2,4H2,1,3H3,(H,17,18)
chemicalCompound:standardIn...	ZQLRQLBQOFRMFS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=C)C(=O)c1ccc(OC(C)C(=O)O)cc1Cl
chemicalCompound:molecularF...	C14 H15 Cl O4
chemicalCompound:moleculeId	391440
chemicalCompound:mwFreebase	282.72
chemicalCompound:alogp	3.783
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.972
chemicalCompound:acdLogP	2.39
chemicalCompound:acdLogD	-1.278
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	282.72
chemicalCompound:chemblId	CHEMBL243586
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:491440
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:1941209, activity:1941233