753822

Source:http://linkedlifedata.com/resource/chembl/compound/753822

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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/C12H13N3O2S3/c1-9-8-19-12-14-10(7-15(9)12)4-5-13-20(16,17)11-3-2-6-18-11/h2-3,6-8,13H,4-5H2,1H3
chemicalCompound:standardIn...	RKSZOKZKZFTAAH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1csc2nc(CCNS(=O)(=O)c3cccs3)cn12
chemicalCompound:molecularF...	C12H13N3O2S3
chemicalCompound:moleculeId	753822
chemicalCompound:mwFreebase	327.445
chemicalCompound:alogp	1.328
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	128.32
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.609
chemicalCompound:acdLogP	1.201
chemicalCompound:acdLogD	0.823
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	327.445
chemicalCompound:acdMostBpk...	7.58
chemicalCompound:chemblId	CHEMBL1329938
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:853822
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:3802903, activity:3832932, activity:3872908, activity:4281439, activity:4732020, activity:4813496, activity:4974596, activity:5012689, activity:5019267, activity:5029014, activity:5408345, activity:5537060, activity:5540532, activity:5652199, activity:5774690, activity:5872094, activity:6570068, activity:7414223, activity:10457383