30185

Source:http://linkedlifedata.com/resource/chembl/compound/30185

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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/C15H19NO3S/c1-10(9-20)15(19)16(8-14(17)18)13-6-5-11-3-2-4-12(11)7-13/h5-7,10,20H,2-4,8-9H2,1H3,(H,17,18)
chemicalCompound:standardIn...	KABOPQLXAGVINK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(CS)C(=O)N(CC(=O)O)c1ccc2CCCc2c1
chemicalCompound:molecularF...	C15 H19 N O3 S
chemicalCompound:moleculeId	30185
chemicalCompound:mwFreebase	293.381
chemicalCompound:alogp	2.704
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	96.41
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.349
chemicalCompound:acdLogP	2.985
chemicalCompound:acdLogD	-0.69
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	293.381
chemicalCompound:acdMostBpk...	0.605
chemicalCompound:chemblId	CHEMBL23641
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:130185
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:687786, activity:843082