986168

Source:http://linkedlifedata.com/resource/chembl/compound/986168

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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/C19H16BrNO5/c1-10(22)16-17(11-3-8-14(23)15(9-11)26-2)21(19(25)18(16)24)13-6-4-12(20)5-7-13/h3-9,17,23-24H,1-2H3
chemicalCompound:standardIn...	SIKVHNWRWQWVEE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(ccc1O)C2N(C(=O)C(=C2C(=O)C)O)c3ccc(Br)cc3
chemicalCompound:molecularF...	C19H16BrNO5
chemicalCompound:moleculeId	986168
chemicalCompound:mwFreebase	418.238
chemicalCompound:alogp	2.778
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	87.07
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	2.806
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	418.238
chemicalCompound:chemblId	CHEMBL1562284
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1086168
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:4839302