391443

Source:http://linkedlifedata.com/resource/chembl/compound/391443

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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/C13H14O4/c1-8(2)13(16)11-5-4-10(6-9(11)3)17-7-12(14)15/h4-6H,1,7H2,2-3H3,(H,14,15)
chemicalCompound:standardIn...	QVNUDVDTFZMINW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=C)C(=O)c1ccc(OCC(=O)O)cc1C
chemicalCompound:molecularF...	C13 H14 O4
chemicalCompound:moleculeId	391443
chemicalCompound:mwFreebase	234.248
chemicalCompound:alogp	2.665
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.015
chemicalCompound:acdLogP	1.378
chemicalCompound:acdLogD	-2.282
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	234.248
chemicalCompound:chemblId	CHEMBL242066
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:491443
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:1941206, activity:1941230