620068

Source:http://linkedlifedata.com/resource/chembl/compound/620068

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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/C19H20F2N2O6S2/c20-15-3-1-4-16(21)19(15)31(26,27)23-8-2-7-22(9-10-23)30(24,25)14-5-6-17-18(13-14)29-12-11-28-17/h1,3-6,13H,2,7-12H2
chemicalCompound:standardIn...	JPOSZEKFNLCUKY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1cccc(F)c1S(=O)(=O)N2CCCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3
chemicalCompound:molecularF...	C19H20F2N2O6S2
chemicalCompound:moleculeId	620068
chemicalCompound:mwFreebase	474.499
chemicalCompound:alogp	1.79
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	109.97
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.104
chemicalCompound:acdLogD	5.104
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	474.499
chemicalCompound:chemblId	CHEMBL1091457
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:720068
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:3241336, activity:3241393, activity:3241449, activity:3241493, activity:3241549, activity:3241589, activity:3262070, activity:3262126, activity:3262183, activity:3262203, activity:3699521, activity:3775743, activity:3942390, activity:4417376, activity:4443349, activity:4656899, activity:4711796, activity:4839385, activity:5462843, activity:5956450, activity:6704133