1221575

Source:http://linkedlifedata.com/resource/chembl/compound/1221575

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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/C18H27BrN2O2/c1-14(2)11-17(13-22)21-10-9-20(8-7-18(21)23)12-15-3-5-16(19)6-4-15/h3-6,14,17,22H,7-13H2,1-2H3/t17-/m0/s1
chemicalCompound:standardIn...	GHIBWRMRRBOMMA-KRWDZBQOSA-N
chemicalCompound:canonicalS...	CC(C)C[C@@H](CO)N1CCN(Cc2ccc(Br)cc2)CCC1=O
chemicalCompound:molecularF...	C18H27BrN2O2
chemicalCompound:moleculeId	1221575
chemicalCompound:mwFreebase	383.323
chemicalCompound:alogp	3.054
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	43.78
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.992
chemicalCompound:acdLogD	3.726
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.323
chemicalCompound:acdMostBpk...	8.029
chemicalCompound:chemblId	CHEMBL1881004
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1321575
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:6510338, activity:6838831, activity:6961660, activity:7239412