813855

Source:http://linkedlifedata.com/resource/chembl/compound/813855

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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/C15H22N4O4S2/c1-17(2)24(20,21)14-4-6-15(7-5-14)25(22,23)19-12-10-18(11-13-19)9-3-8-16/h4-7H,3,9-13H2,1-2H3
chemicalCompound:standardIn...	PGVZSBOGDAEZNA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N2CCN(CCC#N)CC2
chemicalCompound:molecularF...	C15H22N4O4S2
chemicalCompound:moleculeId	813855
chemicalCompound:mwFreebase	386.49
chemicalCompound:alogp	0
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	118.54
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.547
chemicalCompound:acdLogD	1.546
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	386.49
chemicalCompound:acdMostBpk...	4.516
chemicalCompound:chemblId	CHEMBL1389971
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:913855
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:4689481, activity:6535400, activity:6648789, activity:6950889