833862

Source:http://linkedlifedata.com/resource/chembl/compound/833862

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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/C12H15NO4S2/c14-18(15)8-7-12(10-18)13-19(16,17)9-6-11-4-2-1-3-5-11/h1-6,9,12-13H,7-8,10H2/b9-6+
chemicalCompound:standardIn...	HJZWFMSWPHKQTD-RMKNXTFCSA-N
chemicalCompound:canonicalS...	O=S(=O)(NC1CCS(=O)(=O)C1)\C=C\c2ccccc2
chemicalCompound:molecularF...	C12H15NO4S2
chemicalCompound:moleculeId	833862
chemicalCompound:mwFreebase	301.382
chemicalCompound:alogp	0.19
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	97.07
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.523
chemicalCompound:acdLogP	0.535
chemicalCompound:acdLogD	0.503
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	301.382
chemicalCompound:chemblId	CHEMBL1409978
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:933862
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:3764147, activity:4219359, activity:6599690