619729

Source:http://linkedlifedata.com/resource/chembl/compound/619729

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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/C18H20N2O6S2/c21-27(22,15-4-2-1-3-5-15)19-8-10-20(11-9-19)28(23,24)16-6-7-17-18(14-16)26-13-12-25-17/h1-7,14H,8-13H2
chemicalCompound:standardIn...	LPTXNCIBYRGGBT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=S(=O)(N1CCN(CC1)S(=O)(=O)c2ccc3OCCOc3c2)c4ccccc4
chemicalCompound:molecularF...	C18H20N2O6S2
chemicalCompound:moleculeId	619729
chemicalCompound:mwFreebase	424.491
chemicalCompound:alogp	1.317
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	109.98
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.801
chemicalCompound:acdLogD	3.801
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.491
chemicalCompound:chemblId	CHEMBL1094006
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:719729
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:3241318, activity:3241375, activity:3241431, activity:3241511, activity:3241567, activity:3262052, activity:3262108, activity:3262224, activity:3262228, activity:3699555, activity:3775753, activity:3942410, activity:4417393, activity:4443367, activity:4711807, activity:4839409