1106686

Source:http://linkedlifedata.com/resource/chembl/compound/1106686

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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/C15H20N2O6S/c1-10(18)16-12(5-8-24(2,20)21)15(19)17-11-3-4-13-14(9-11)23-7-6-22-13/h3-4,9,12H,5-8H2,1-2H3,(H,16,18)(H,17,19)
chemicalCompound:standardIn...	SBRDPIZGJLRILF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)NC(CCS(=O)(=O)C)C(=O)Nc1ccc2OCCOc2c1
chemicalCompound:molecularF...	C15H20N2O6S
chemicalCompound:moleculeId	1106686
chemicalCompound:mwFreebase	356.394
chemicalCompound:alogp	-0.409
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	119.18
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.35
chemicalCompound:acdLogP	-0.086
chemicalCompound:acdLogD	-0.086
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	356.394
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1725955
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1206686
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:5642304, activity:6493176