520257

Source:http://linkedlifedata.com/resource/chembl/compound/520257

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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/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19)
chemicalCompound:standardIn...	FKJNWJPAAVSRNX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(CCO)S(=O)(=O)c1ccc(cc1)c2ccnc3[nH]c(C)cc23
chemicalCompound:molecularF...	C17H19N3O3S
chemicalCompound:moleculeId	520257
chemicalCompound:mwFreebase	345.416
chemicalCompound:alogp	1.413
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	94.66
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.878
chemicalCompound:acdLogP	1.268
chemicalCompound:acdLogD	1.267
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	345.416
chemicalCompound:acdMostBpk...	4.06
chemicalCompound:chemblId	CHEMBL520308
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:620257
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:2525567, activity:2525587, activity:2525600, activity:2525605, activity:2525606, activity:2525607, activity:2525608, activity:2525609, activity:2525610, activity:2525611, activity:2525612, activity:2525613, activity:6326128