698546

Source:http://linkedlifedata.com/resource/chembl/compound/698546

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1
chemicalCompound:standardIn...	DZLFLBLQUQXARW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC[N+](CCCC)(CCCC)CCCC
chemicalCompound:molecularF...	C16H36N
chemicalCompound:moleculeId	698546
chemicalCompound:mwFreebase	242.464
chemicalCompound:alogp	4.28
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	0
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-1.984
chemicalCompound:acdLogD	-1.984
chemicalCompound:fullMwt	242.464
chemicalCompound:chemblId	CHEMBL1236196
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:798546
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:45825