168316

Source:http://linkedlifedata.com/resource/chembl/compound/168316

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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/C11H16N2O4S2/c1-16-4-2-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)
chemicalCompound:standardIn...	ADYFZNUQNYFYCC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCCNCc1cc2cc(oc2s1)S(=O)(=O)N
chemicalCompound:molecularF...	C11 H16 N2 O4 S2
chemicalCompound:moleculeId	168316
chemicalCompound:mwFreebase	304.386
chemicalCompound:alogp	0.05
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	131.18
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.839
chemicalCompound:acdLogP	0.926
chemicalCompound:acdLogD	-0.143
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	304.386
chemicalCompound:acdMostBpk...	8.403
chemicalCompound:chemblId	CHEMBL106493
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:268316
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:1244517, activity:1244518, activity:1244519, activity:1244520, activity:1244521, activity:1244522, activity:1244523, activity:1244524