1142038

Source:http://linkedlifedata.com/resource/chembl/compound/1142038

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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/C10H18N2O3S/c1-7(2)16(14,15)12-4-3-9-8(6-12)5-10(13)11-9/h7-9H,3-6H2,1-2H3,(H,11,13)/t8-,9+/m1/s1
chemicalCompound:standardIn...	DHWFAXMGRNQYMJ-BDAKNGLRSA-N
chemicalCompound:canonicalS...	CC(C)S(=O)(=O)N1CC[C@@H]2NC(=O)C[C@@H]2C1
chemicalCompound:molecularF...	C10H18N2O3S
chemicalCompound:moleculeId	1142038
chemicalCompound:mwFreebase	246.327
chemicalCompound:alogp	-0.908
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	74.86
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.301
chemicalCompound:acdLogD	0.301
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	246.327
chemicalCompound:chemblId	CHEMBL1766999
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1242038
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:6174895