497744

Source:http://linkedlifedata.com/resource/chembl/compound/497744

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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/C15H13BrN4O3S/c16-11-4-2-1-3-9(11)13-10-7-8(24(18,22)23)5-6-12(10)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
chemicalCompound:standardIn...	XQBLSLMDDOHBFU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NNC(=O)c1[nH]c2ccc(cc2c1c3ccccc3Br)S(=O)(=O)N
chemicalCompound:molecularF...	C15H13BrN4O3S
chemicalCompound:moleculeId	497744
chemicalCompound:mwFreebase	409.258
chemicalCompound:alogp	1.897
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	139.44
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.049
chemicalCompound:acdLogP	0.472
chemicalCompound:acdLogD	0.471
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	409.258
chemicalCompound:acdMostBpk...	2.781
chemicalCompound:chemblId	CHEMBL500025
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597744
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:2411076, activity:2411093, activity:2468281, activity:2468308, activity:2468325, activity:2468330, activity:2468345, activity:2468360, activity:2468375, activity:2468390, activity:2468420, activity:2468435, activity:2468450, activity:2468465, activity:2469412, activity:3254698, activity:3254730