654918

Source:http://linkedlifedata.com/resource/chembl/compound/654918

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C28H64N3/c1-9-29(10-2,11-3)25-21-17-19-23-27-31(15-7,16-8)28-24-20-18-22-26-30(12-4,13-5)14-6/h9-28H2,1-8H3/q+3
chemicalCompound:standardIn...	KJSAHXIREVLOSH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC[N+](CC)(CC)CCCCCC[N+](CC)(CC)CCCCCC[N+](CC)(CC)CC
chemicalCompound:molecularF...	C28H64N3
chemicalCompound:moleculeId	654918
chemicalCompound:mwFreebase	442.828
chemicalCompound:alogp	2.433
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	0
chemicalCompound:rtb	22
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-6.557
chemicalCompound:acdLogD	-6.557
chemicalCompound:fullMwt	442.828
chemicalCompound:chemblId	CHEMBL1180968
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:754918
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No