748848

Source:http://linkedlifedata.com/resource/chembl/compound/748848

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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/C17H18F2N2O6S2/c18-13-3-1-4-14(19)17(13)29(24,25)21-8-2-7-20-28(22,23)12-5-6-15-16(11-12)27-10-9-26-15/h1,3-6,11H,2,7-10H2,(H2-2,20,21,22,23,24,25)
chemicalCompound:standardIn...	CXKRPAXTDFMWBL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][S+](=O)(NCCCN[S+](=O)([O-])c1c(F)cccc1F)c2ccc3OCCOc3c2
chemicalCompound:molecularF...	C17H18F2N2O6S2
chemicalCompound:moleculeId	748848
chemicalCompound:mwFreebase	448.461
chemicalCompound:alogp	-0.766
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	127.56
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:fullMwt	448.461
chemicalCompound:chemblId	CHEMBL1324964
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:848848
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:3775754, activity:3942413, activity:4417395, activity:4443369, activity:4711808, activity:4839413