848153

Source:http://linkedlifedata.com/resource/chembl/compound/848153

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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/C20H28N4O3S/c1-16-12-17(2)14-24(13-16)28(26,27)19-6-4-18(5-7-19)20(25)22-8-3-10-23-11-9-21-15-23/h4-7,9,11,15-17H,3,8,10,12-14H2,1-2H3,(H,22,25)
chemicalCompound:standardIn...	WGGOVHOLYQXTNQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1CC(C)CN(C1)S(=O)(=O)c2ccc(cc2)C(=O)NCCCn3ccnc3
chemicalCompound:molecularF...	C20H28N4O3S
chemicalCompound:moleculeId	848153
chemicalCompound:mwFreebase	404.526
chemicalCompound:alogp	1.515
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	92.68
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.703
chemicalCompound:acdLogP	2.799
chemicalCompound:acdLogD	2.643
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	404.526
chemicalCompound:acdMostBpk...	6.95
chemicalCompound:chemblId	CHEMBL1424269
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:948153
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:3645209, activity:3684331, activity:3759080, activity:3815568, activity:3889080, activity:3951552, activity:4240430, activity:4701835, activity:4767527, activity:4847500, activity:4867362, activity:4883351, activity:4948005, activity:4966188, activity:5420588, activity:5510657, activity:5528498, activity:5539483, activity:5866525, activity:5941402, activity:6851289, activity:7124251, activity:7447138