82448

Source:http://linkedlifedata.com/resource/chembl/compound/82448

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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/C22H25Br2NO3/c1-27-19-5-3-15(23)12-17(19)22(26,18-13-16(24)4-6-20(18)28-2)21-11-14-7-9-25(21)10-8-14/h3-6,12-14,21,26H,7-11H2,1-2H3
chemicalCompound:standardIn...	HAWSNVHPLDPADD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(Br)cc1C(O)(C2CC3CCN2CC3)c4cc(Br)ccc4OC
chemicalCompound:molecularF...	C22 H25 Br2 N O3
chemicalCompound:moleculeId	82448
chemicalCompound:mwFreebase	511.247
chemicalCompound:alogp	5.082
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	41.93
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.62
chemicalCompound:acdLogP	6.136
chemicalCompound:acdLogD	3.61
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	511.247
chemicalCompound:acdMostBpk...	10.072
chemicalCompound:chemblId	CHEMBL293041
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:182448
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:365099, activity:365100, activity:365101, activity:365102, activity:365103, activity:365104, activity:365105, activity:365106