29467

Source:http://linkedlifedata.com/resource/chembl/compound/29467

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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/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(19)7-6-11(16)14(13)21-2/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
chemicalCompound:standardIn...	QRMZHEDLUQMLGK-JTQLQIEISA-N
chemicalCompound:canonicalS...	CCN1CCC[C@H]1CNC(=O)c2c(O)ccc(Br)c2OC
chemicalCompound:molecularF...	C15 H21 Br N2 O3
chemicalCompound:moleculeId	29467
chemicalCompound:mwFreebase	357.243
chemicalCompound:alogp	2.505
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	61.8
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.296
chemicalCompound:acdLogP	2.873
chemicalCompound:acdLogD	0.78
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	357.243
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL23519
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:129467
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:64517, activity:64518, activity:64519, activity:677318