117854

Source:http://linkedlifedata.com/resource/chembl/compound/117854

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/C14H24N4S/c1-3-4-5-6-9-15-14-13(16-19-17-14)12-8-7-10-18(2)11-12/h8H,3-7,9-11H2,1-2H3,(H,15,17)
chemicalCompound:standardIn...	QLVGAKONSDZSLC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCNc1nsnc1C2=CCCN(C)C2
chemicalCompound:molecularF...	C14 H24 N4 S
chemicalCompound:moleculeId	117854
chemicalCompound:mwFreebase	280.432
chemicalCompound:alogp	3.313
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	69.28
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.875
chemicalCompound:acdLogD	3.505
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	280.432
chemicalCompound:acdMostBpk...	7.598
chemicalCompound:chemblId	CHEMBL308168
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:217854
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:445714, activity:445715, activity:445716, activity:445717, activity:445718, activity:445719, activity:965722, activity:965723, activity:965724, activity:965725