619021

Source:http://linkedlifedata.com/resource/chembl/compound/619021

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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/C18H19FN2O6S2/c19-15-3-1-2-4-18(15)29(24,25)21-9-7-20(8-10-21)28(22,23)14-5-6-16-17(13-14)27-12-11-26-16/h1-6,13H,7-12H2
chemicalCompound:standardIn...	GPCKIBUKXJHNOS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccccc1S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3
chemicalCompound:molecularF...	C18H19FN2O6S2
chemicalCompound:moleculeId	619021
chemicalCompound:mwFreebase	442.482
chemicalCompound:alogp	1.522
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	109.98
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.398
chemicalCompound:acdLogD	4.398
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	442.482
chemicalCompound:chemblId	CHEMBL1090776
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:719021
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:3241311, activity:3241369, activity:3241425, activity:3241517, activity:3241573, activity:3262046, activity:3262102, activity:3262226, activity:3262239, activity:3699552, activity:3775752, activity:3942407, activity:4417391, activity:4443365, activity:4711806, activity:4839406