391432

Source:http://linkedlifedata.com/resource/chembl/compound/391432

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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/C13H13BrO4/c1-3-8(2)13(17)10-5-4-9(6-11(10)14)18-7-12(15)16/h4-6H,2-3,7H2,1H3,(H,15,16)
chemicalCompound:standardIn...	PWUJFCZQHWZVEZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=C)C(=O)c1ccc(OCC(=O)O)cc1Br
chemicalCompound:molecularF...	C13 H13 Br O4
chemicalCompound:moleculeId	391432
chemicalCompound:mwFreebase	313.144
chemicalCompound:alogp	3.383
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.93
chemicalCompound:acdLogP	2.167
chemicalCompound:acdLogD	-1.507
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	313.144
chemicalCompound:chemblId	CHEMBL243583
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:491432
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:1941213, activity:1941237