259772

Source:http://linkedlifedata.com/resource/chembl/compound/259772

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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/C17H16BrNO/c1-19-6-5-10-3-2-4-13-16(10)14(19)8-11-7-12(18)9-15(20)17(11)13/h2-4,7,9,14,20H,5-6,8H2,1H3/t14-/m0/s1
chemicalCompound:standardIn...	KHTGEMLTFUDITR-AWEZNQCLSA-N
chemicalCompound:canonicalS...	CN1CCc2cccc3c2[C@@H]1Cc4cc(Br)cc(O)c34
chemicalCompound:molecularF...	C17 H16 Br N O
chemicalCompound:moleculeId	259772
chemicalCompound:mwFreebase	330.219
chemicalCompound:alogp	4.106
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.637
chemicalCompound:acdLogP	3.113
chemicalCompound:acdLogD	2.615
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	330.219
chemicalCompound:acdMostBpk...	7.722
chemicalCompound:chemblId	CHEMBL157735
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:359772
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:168823, activity:168824, activity:168825, activity:168826