1248013

Source:http://linkedlifedata.com/resource/chembl/compound/1248013

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C20H26BrNO2/c1-20(24,17-9-11-18(21)12-10-17)19(15-22-13-5-6-14-23)16-7-3-2-4-8-16/h2-4,7-12,19,22-24H,5-6,13-15H2,1H3
chemicalCompound:standardIn...	AWHMNWPJVCKANO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(O)(C(CNCCCCO)c1ccccc1)c2ccc(Br)cc2
chemicalCompound:molecularF...	C20H26BrNO2
chemicalCompound:moleculeId	1248013
chemicalCompound:mwFreebase	392.33
chemicalCompound:alogp	3.456
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	52.49
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.715
chemicalCompound:acdLogP	3.527
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	392.33
chemicalCompound:acdMostBpk...	9.993
chemicalCompound:chemblId	CHEMBL1907427
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1348013
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No