1262941

Source:http://linkedlifedata.com/resource/chembl/compound/1262941

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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/C13H18Br3NO2/c1-8(18)7-17(2)5-4-9-10(14)6-11(15)13(19-3)12(9)16/h6,8,18H,4-5,7H2,1-3H3
chemicalCompound:standardIn...	FLXJEWXCEATYOS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1c(Br)cc(Br)c(CCN(C)CC(C)O)c1Br
chemicalCompound:molecularF...	C13H18Br3NO2
chemicalCompound:moleculeId	1262941
chemicalCompound:mwFreebase	460
chemicalCompound:alogp	4.291
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	32.7
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.641
chemicalCompound:acdLogD	3.635
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	460
chemicalCompound:acdMostBpk...	8.546
chemicalCompound:chemblId	CHEMBL1915494
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1362941
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:7928941