1015995

Source:http://linkedlifedata.com/resource/chembl/compound/1015995

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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/C18H18F2N2O7S2/c19-13-2-3-14(23)17(20)18(13)31(26,27)22-7-5-21(6-8-22)30(24,25)12-1-4-15-16(11-12)29-10-9-28-15/h1-4,11H,5-10H2,(H-2,23,24,25,26,27)
chemicalCompound:standardIn...	MCZQNCWYCPMCLW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(F)c(c1F)[S+](=O)([O-])N2CCN(CC2)[S+](=O)([O-])c3ccc4OCCOc4c3
chemicalCompound:molecularF...	C18H18F2N2O7S2
chemicalCompound:moleculeId	1015995
chemicalCompound:mwFreebase	476.472
chemicalCompound:alogp	-0.84
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	130.21
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:fullMwt	476.472
chemicalCompound:chemblId	CHEMBL1592111
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1115995
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:3699633, activity:3775766, activity:3942450, activity:4443932, activity:4711830, activity:4839459