568905

Source:http://linkedlifedata.com/resource/chembl/compound/568905

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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/C11H14BrN3/c12-10-5-4-6-11(9-10)13-14-15-7-2-1-3-8-15/h4-6,9H,1-3,7-8H2/b14-13+
chemicalCompound:standardIn...	SGPCLOBDIMPCCG-BUHFOSPRSA-N
chemicalCompound:canonicalS...	Brc1cccc(c1)N=NN2CCCCC2
chemicalCompound:molecularF...	C11H14BrN3
chemicalCompound:moleculeId	568905
chemicalCompound:mwFreebase	268.153
chemicalCompound:alogp	3.879
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	27.96
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.65
chemicalCompound:acdLogD	4.65
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	268.153
chemicalCompound:acdMostBpk...	1.766
chemicalCompound:chemblId	CHEMBL573539
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668905
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:2913456, activity:2913502, activity:2913560, activity:2913618, activity:2913676, activity:2913734, activity:2913792, activity:2914222, activity:2914313, activity:2914371, activity:2914975, activity:2915000, activity:2915025