1163322

Source:http://linkedlifedata.com/resource/chembl/compound/1163322

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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/C15H12BrNO3/c1-10(18)20-14-5-3-2-4-13(14)15(19)17-12-8-6-11(16)7-9-12/h2-9H,1H3,(H,17,19)
chemicalCompound:standardIn...	OHSCFIHUSWQCSY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Oc1ccccc1C(=O)Nc2ccc(Br)cc2
chemicalCompound:molecularF...	C15H12BrNO3
chemicalCompound:moleculeId	1163322
chemicalCompound:mwFreebase	334.165
chemicalCompound:alogp	3.13
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	55.4
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.514
chemicalCompound:acdLogP	2.836
chemicalCompound:acdLogD	2.836
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	334.165
chemicalCompound:chemblId	CHEMBL1802239
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1263322
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:6273188, activity:6273239, activity:6273251, activity:6273892, activity:6273917, activity:6273937, activity:6273955, activity:8006431, activity:8006459, activity:8006495, activity:8006539