889395

Source:http://linkedlifedata.com/resource/chembl/compound/889395

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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/C9H5BrN2O2S2/c10-6-2-1-4(16-6)3-5-7(13)11-9(15)12-8(5)14/h1-3H,(H2,11,12,13,14,15)
chemicalCompound:standardIn...	FOPCKFPCCBEILD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Brc1ccc(C=C2C(=O)NC(=S)NC2=O)s1
chemicalCompound:molecularF...	C9H5BrN2O2S2
chemicalCompound:moleculeId	889395
chemicalCompound:mwFreebase	317.182
chemicalCompound:alogp	2.285
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	118.53
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.647
chemicalCompound:acdLogP	1.898
chemicalCompound:acdLogD	-0.537
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	317.182
chemicalCompound:chemblId	CHEMBL1465511
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:989395
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:3635706, activity:3795703, activity:3950342, activity:4092542, activity:4254913, activity:4319609, activity:4372852, activity:4417304, activity:4573943, activity:4958618, activity:5387636, activity:5503537, activity:5504917, activity:5506852, activity:5519493, activity:5535432, activity:5651147, activity:5672234, activity:5695914, activity:5799038, activity:5811076, activity:5970218, activity:6427701, activity:6560768, activity:6604529, activity:6753296, activity:6761752, activity:6812474, activity:6840369, activity:6868253, activity:6977705, activity:7028323, activity:7037156, activity:7051952, activity:7066674, activity:7071819, activity:7309428, activity:7400094, activity:7450274, activity:7464738, activity:7546505, activity:9800021, activity:9808346, activity:9991871, activity:10267610, activity:10435267, activity:10442074, activity:10668322