922247

Source:http://linkedlifedata.com/resource/chembl/compound/922247

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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/C8H7BrN4S/c9-6-3-1-2-5(4-6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14)
chemicalCompound:standardIn...	GVXBYQYIFQIOCT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nn1c(S)nnc1c2cccc(Br)c2
chemicalCompound:molecularF...	C8H7BrN4S
chemicalCompound:moleculeId	922247
chemicalCompound:mwFreebase	271.137
chemicalCompound:alogp	2.277
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	95.52
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.262
chemicalCompound:acdLogD	1.277
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	271.137
chemicalCompound:acdMostBpk...	6.709
chemicalCompound:chemblId	CHEMBL1498363
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1022247
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:3715458, activity:3919892, activity:4120438, activity:4300696, activity:4361179, activity:4445548, activity:4522207, activity:4700028, activity:4718465, activity:4837234, activity:5379329, activity:5522381, activity:5560668, activity:5639137, activity:5734571, activity:5817238, activity:5858223, activity:6827478, activity:8781019, activity:9020146, activity:9720257, activity:10170416, activity:10668501