1079495

Source:http://linkedlifedata.com/resource/chembl/compound/1079495

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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/C18H22BrN3O/c1-13-7-8-15(14(19)11-13)20-18(23)12-22-10-4-6-17(22)16-5-3-9-21(16)2/h3,5,7-9,11,17H,4,6,10,12H2,1-2H3,(H,20,23)
chemicalCompound:standardIn...	YPRSNCOXMZLNFJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(NC(=O)CN2CCCC2c3cccn3C)c(Br)c1
chemicalCompound:molecularF...	C18H22BrN3O
chemicalCompound:moleculeId	1079495
chemicalCompound:mwFreebase	376.291
chemicalCompound:alogp	3.748
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.27
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.292
chemicalCompound:acdLogP	2.58
chemicalCompound:acdLogD	2.226
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	376.291
chemicalCompound:acdMostBpk...	7.668
chemicalCompound:chemblId	CHEMBL1698764
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1179495
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:5435900, activity:5532472, activity:5661299, activity:5874619, activity:6657161, activity:6966199, activity:7071444, activity:7290695