579586

Source:http://linkedlifedata.com/resource/chembl/compound/579586

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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/C9H10ClN3O2S/c1-2-11-9-12-7-5-3-4-6(10)8(7)16(14,15)13-9/h3-5H,2H2,1H3,(H2,11,12,13)
chemicalCompound:standardIn...	JLEQYUNXCPVHOB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNC1=NS(=O)(=O)c2c(Cl)cccc2N1
chemicalCompound:molecularF...	C9H10ClN3O2S
chemicalCompound:moleculeId	579586
chemicalCompound:mwFreebase	259.713
chemicalCompound:alogp	0.895
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	78.94
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.04
chemicalCompound:acdLogP	1.899
chemicalCompound:acdLogD	1.898
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	259.713
chemicalCompound:chemblId	CHEMBL571778
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:679586
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:2980388, activity:2980391, activity:2980413