259604

Source:http://linkedlifedata.com/resource/chembl/compound/259604

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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/C17H15Br2NO/c1-20-6-5-9-3-2-4-10-15(9)14(20)7-11-12(18)8-13(19)17(21)16(10)11/h2-4,8,14,21H,5-7H2,1H3/t14-/m1/s1
chemicalCompound:standardIn...	RAIOTDNIRNEUDH-CQSZACIVSA-N
chemicalCompound:canonicalS...	CN1CCc2cccc3c2[C@H]1Cc4c(Br)cc(Br)c(O)c34
chemicalCompound:molecularF...	C17 H15 Br2 N O
chemicalCompound:moleculeId	259604
chemicalCompound:mwFreebase	409.115
chemicalCompound:alogp	4.854
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.095
chemicalCompound:acdLogP	4.187
chemicalCompound:acdLogD	3.531
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	409.115
chemicalCompound:acdMostBpk...	7.617
chemicalCompound:chemblId	CHEMBL155883
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:359604
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:151618, activity:151619, activity:151620, activity:151621