1211939

Source:http://linkedlifedata.com/resource/chembl/compound/1211939

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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/c13-10(12-5-2-1-3-6-12)11-9-4-7-16(14,15)8-9/h9H,1-8H2,(H,11,13)/t9-/m1/s1
chemicalCompound:standardIn...	VEEVBWYULUVYCY-SECBINFHSA-N
chemicalCompound:canonicalS...	O=C(N[C@@H]1CCS(=O)(=O)C1)N2CCCCC2
chemicalCompound:molecularF...	C10H18N2O3S
chemicalCompound:moleculeId	1211939
chemicalCompound:mwFreebase	246.327
chemicalCompound:alogp	0
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	74.86
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.765
chemicalCompound:acdLogP	-0.519
chemicalCompound:acdLogD	-0.519
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	246.327
chemicalCompound:chemblId	CHEMBL1871368
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1311939
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:7489200