649457

Source:http://linkedlifedata.com/resource/chembl/compound/649457

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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/C17H19BrN2O4S/c1-3-24-14-10-8-13(9-11-14)20(25(2,22)23)12-17(21)19-16-7-5-4-6-15(16)18/h4-11H,3,12H2,1-2H3,(H,19,21)
chemicalCompound:standardIn...	QOTGHEAUOCJCLX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1ccc(cc1)N(CC(=O)Nc2ccccc2Br)S(=O)(=O)C
chemicalCompound:molecularF...	C17H19BrN2O4S
chemicalCompound:moleculeId	649457
chemicalCompound:mwFreebase	427.313
chemicalCompound:alogp	2.664
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	84.09
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.27
chemicalCompound:acdLogP	2.627
chemicalCompound:acdLogD	2.627
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	427.313
chemicalCompound:chemblId	CHEMBL1172202
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:749457
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:3367466, activity:3657616, activity:4546194, activity:4801326, activity:4909544, activity:5329518