227279

Source:http://linkedlifedata.com/resource/chembl/compound/227279

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1
chemicalCompound:standardIn...	UKCYTFTWLWVZSO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)CCC[N+](C)(C)C
chemicalCompound:molecularF...	C8H18NO
chemicalCompound:moleculeId	227279
chemicalCompound:mwFreebase	144.235
chemicalCompound:alogp	-0.884
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	17.07
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-3.794
chemicalCompound:acdLogD	-3.794
chemicalCompound:fullMwt	144.235
chemicalCompound:chemblId	CHEMBL136916
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:327279
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:44470
chemicalCompound:activity	activity:1087148, activity:2341345