486576

Source:http://linkedlifedata.com/resource/chembl/compound/486576

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C12H14BrN3O3/c1-6-3-4-8(15-10(17)7(2)13)5-9(6)11(18)16-12(14)19/h3-5,7H,1-2H3,(H,15,17)(H3,14,16,18,19)
chemicalCompound:standardIn...	RWBAJTSDEJQJCA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(Br)C(=O)Nc1ccc(C)c(c1)C(=O)NC(=O)N
chemicalCompound:molecularF...	C12H14BrN3O3
chemicalCompound:moleculeId	486576
chemicalCompound:mwFreebase	328.162
chemicalCompound:alogp	1.38
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	101.29
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.976
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	0.999
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	328.162
chemicalCompound:acdMostBpk...	0.081
chemicalCompound:chemblId	CHEMBL497546
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:586576
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:2355835