970780

Source:http://linkedlifedata.com/resource/chembl/compound/970780

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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/C17H18BrN3O5S/c1-25-14-2-3-15(20-17(22)12-8-13(18)11-19-10-12)16(9-14)27(23,24)21-4-6-26-7-5-21/h2-3,8-11H,4-7H2,1H3,(H,20,22)
chemicalCompound:standardIn...	KLAYCDXDIOONST-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(NC(=O)c2cncc(Br)c2)c(c1)S(=O)(=O)N3CCOCC3
chemicalCompound:molecularF...	C17H18BrN3O5S
chemicalCompound:moleculeId	970780
chemicalCompound:mwFreebase	456.311
chemicalCompound:alogp	1
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	106.21
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.253
chemicalCompound:acdLogP	2.627
chemicalCompound:acdLogD	2.626
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	456.311
chemicalCompound:acdMostBpk...	0.951
chemicalCompound:chemblId	CHEMBL1546896
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1070780
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:3754306, activity:4646633, activity:5896131, activity:6495004, activity:7122441, activity:7287021