9453

Source:http://linkedlifedata.com/resource/chembl/compound/9453

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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/C10H16N2O3S/c1-7(13)16-6-8-3-2-4-12(10(8)15)5-9(11)14/h8H,2-6H2,1H3,(H2,11,14)
chemicalCompound:standardIn...	JHHCHPTVSLMRRG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)SCC1CCCN(CC(=O)N)C1=O
chemicalCompound:molecularF...	C10 H16 N2 O3 S
chemicalCompound:moleculeId	9453
chemicalCompound:mwFreebase	244.311
chemicalCompound:alogp	-0.546
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	105.77
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.867
chemicalCompound:acdLogD	-0.867
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	244.311
chemicalCompound:chemblId	CHEMBL12050
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:109453
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:120180