579551

Source:http://linkedlifedata.com/resource/chembl/compound/579551

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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/C10H12ClN3O2S/c1-6(2)12-10-13-8-5-7(11)3-4-9(8)17(15,16)14-10/h3-6H,1-2H3,(H2,12,13,14)
chemicalCompound:standardIn...	AGEBHJDBKYMLBW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)NC1=NS(=O)(=O)c2ccc(Cl)cc2N1
chemicalCompound:molecularF...	C10H12ClN3O2S
chemicalCompound:moleculeId	579551
chemicalCompound:mwFreebase	273.739
chemicalCompound:alogp	1.918
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	78.94
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.461
chemicalCompound:acdLogP	2.243
chemicalCompound:acdLogD	2.239
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	273.739
chemicalCompound:chemblId	CHEMBL571345
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:679551
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:2980361, activity:2980373, activity:2980374, activity:2980396, activity:2980407, activity:2980418, activity:2980420, activity:2980422, activity:6186083, activity:6186091, activity:6186117, activity:6186134, activity:8022157