171436

Source:http://linkedlifedata.com/resource/chembl/compound/171436

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:171436_N,N-Dimethylaminoethanol (Dmae)_OTHER
chemicalCompound:standardIn...	InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
chemicalCompound:standardIn...	UEEJHVSXFDXPFK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCO
chemicalCompound:molecularF...	C4 H11 N O
chemicalCompound:moleculeId	171436
chemicalCompound:mwFreebase	89.1362
chemicalCompound:alogp	-0.22
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.25
chemicalCompound:acdLogD	-1.601
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	89.1362
chemicalCompound:acdMostBpk...	8.879
chemicalCompound:chemblId	CHEMBL1135
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:271436
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	DIMETHYLAMINOETHANOL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:271436
chemicalCompound:activity	activity:913708, activity:1073384, activity:1230639, activity:3378428, activity:4039839