30079

Source:http://linkedlifedata.com/resource/chembl/compound/30079

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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/C11H19NO3S/c1-8(7-16)11(15)12(6-10(13)14)9-4-2-3-5-9/h8-9,16H,2-7H2,1H3,(H,13,14)
chemicalCompound:standardIn...	ALRGMGVUAWHELZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(CS)C(=O)N(CC(=O)O)C1CCCC1
chemicalCompound:molecularF...	C11H19NO3S
chemicalCompound:moleculeId	30079
chemicalCompound:mwFreebase	245.338
chemicalCompound:alogp	1.473
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	96.41
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.517
chemicalCompound:acdLogP	2.315
chemicalCompound:acdLogD	-1.328
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	245.338
chemicalCompound:chemblId	CHEMBL23523
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:130079
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:679570, activity:679571