901305

Source:http://linkedlifedata.com/resource/chembl/compound/901305

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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/C16H25NO3S/c1-4-20-15-10-13(3)16(11-12(15)2)21(18,19)17-14-8-6-5-7-9-14/h10-11,14,17H,4-9H2,1-3H3
chemicalCompound:standardIn...	NLTZYYGJAAYHIK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1cc(C)c(cc1C)S(=O)(=O)NC2CCCCC2
chemicalCompound:molecularF...	C16H25NO3S
chemicalCompound:moleculeId	901305
chemicalCompound:mwFreebase	311.44
chemicalCompound:alogp	3.904
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	63.78
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.42
chemicalCompound:acdLogP	4.056
chemicalCompound:acdLogD	4.056
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	311.44
chemicalCompound:chemblId	CHEMBL1477421
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1001305
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:3636553, activity:3738342, activity:3924576, activity:4069700, activity:4080487, activity:4299696, activity:4433181, activity:4455333, activity:4514356, activity:4535451, activity:4948246, activity:5057797, activity:6823627, activity:6877441, activity:7261659