147766

Source:http://linkedlifedata.com/resource/chembl/compound/147766

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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/C11H9BrO3/c12-8-3-1-7(2-4-8)10-5-9(6-13)15-11(10)14/h1-5,9,13H,6H2
chemicalCompound:standardIn...	KVYIVLJBAWJNGP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC1OC(=O)C(=C1)c2ccc(Br)cc2
chemicalCompound:molecularF...	C11 H9 Br O3
chemicalCompound:moleculeId	147766
chemicalCompound:mwFreebase	269.091
chemicalCompound:alogp	2.104
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	46.53
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.508
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	269.091
chemicalCompound:chemblId	CHEMBL91554
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:247766
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:677679, activity:677680, activity:677681, activity:677682, activity:677683, activity:677684, activity:677685, activity:677686, activity:677687, activity:677688, activity:677689, activity:677690, activity:677691, activity:677692, activity:677693, activity:677694, activity:677695, activity:677696, activity:677697, activity:677698, activity:677699, activity:677700, activity:677701, activity:677702, activity:1710407