654220

Source:http://linkedlifedata.com/resource/chembl/compound/654220

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C18H40NO/c1-4-7-8-9-10-11-12-13-14-15-16-19(5-2,6-3)17-18-20/h20H,4-18H2,1-3H3/q+1
chemicalCompound:standardIn...	WLPWMVZZHMJEMQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCC[N+](CC)(CC)CCO
chemicalCompound:molecularF...	C18H40NO
chemicalCompound:moleculeId	654220
chemicalCompound:mwFreebase	286.516
chemicalCompound:alogp	4.101
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	20.23
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.6
chemicalCompound:acdLogP	-0.997
chemicalCompound:acdLogD	-0.997
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.516
chemicalCompound:chemblId	CHEMBL1180270
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:754220
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No