264356

Source:http://linkedlifedata.com/resource/chembl/compound/264356

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C15H25NO4S/c1-11(10-21-12(2)17)15(20)16(9-14(18)19)13-7-5-3-4-6-8-13/h11,13H,3-10H2,1-2H3,(H,18,19)
chemicalCompound:standardIn...	GWOKPYPGELGLLB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(CSC(=O)C)C(=O)N(CC(=O)O)C1CCCCCC1
chemicalCompound:molecularF...	C15 H25 N O4 S
chemicalCompound:moleculeId	264356
chemicalCompound:mwFreebase	315.428
chemicalCompound:alogp	2.351
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	99.98
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.442
chemicalCompound:acdLogP	2.529
chemicalCompound:acdLogD	-1.124
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	315.428
chemicalCompound:chemblId	CHEMBL350718
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:364356
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:677122, activity:677123