264357

Source:http://linkedlifedata.com/resource/chembl/compound/264357

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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/C16H27NO4S/c1-11(10-22-15(21)16(2,3)4)14(20)17(9-13(18)19)12-7-5-6-8-12/h11-12H,5-10H2,1-4H3,(H,18,19)
chemicalCompound:standardIn...	XRKXJJYSKUIIEN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(CSC(=O)C(C)(C)C)C(=O)N(CC(=O)O)C1CCCC1
chemicalCompound:molecularF...	C16 H27 N O4 S
chemicalCompound:moleculeId	264357
chemicalCompound:mwFreebase	329.455
chemicalCompound:alogp	2.985
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	99.98
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.489
chemicalCompound:acdLogP	2.749
chemicalCompound:acdLogD	-0.898
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	329.455
chemicalCompound:chemblId	CHEMBL161601
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:364357
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:657956, activity:657957, activity:657958, activity:657959, activity:657960, activity:657961, activity:675826, activity:675827, activity:703884, activity:703885, activity:703886, activity:710526, activity:710527