519142

Source:http://linkedlifedata.com/resource/chembl/compound/519142

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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/C14H11BrN4O2S/c15-10-2-1-3-11(4-10)18-14(20)13-12(8-22-19-13)16-5-9-6-17-21-7-9/h1-4,6-8,16H,5H2,(H,18,20)
chemicalCompound:standardIn...	GHLUIYDWZFXEEF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Brc1cccc(NC(=O)c2nscc2NCc3conc3)c1
chemicalCompound:molecularF...	C14H11BrN4O2S
chemicalCompound:moleculeId	519142
chemicalCompound:mwFreebase	379.232
chemicalCompound:alogp	2.65
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	108.29
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.461
chemicalCompound:acdLogP	3.565
chemicalCompound:acdLogD	3.565
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	379.232
chemicalCompound:acdMostBpk...	2.091
chemicalCompound:chemblId	CHEMBL512380
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:619142
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:2602392, activity:2602424, activity:2602456, activity:2602491, activity:2602520, activity:2602549, activity:2602578, activity:2602607, activity:2602636, activity:2602665, activity:2602694, activity:2602723, activity:2602752, activity:2602781, activity:2602810, activity:2602839, activity:2602868, activity:2602897, activity:2602926, activity:2602955, activity:2602984