13395

Source:http://linkedlifedata.com/resource/chembl/compound/13395

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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:13395_TERTIARY-BUTYLAMINE_OTHER
chemicalCompound:standardIn...	InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
chemicalCompound:standardIn...	YBRBMKDOPFTVDT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)N
chemicalCompound:molecularF...	C4H11N
chemicalCompound:moleculeId	13395
chemicalCompound:mwFreebase	73.1368
chemicalCompound:alogp	0.283
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.802
chemicalCompound:acdLogD	-2.077
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	73.1368
chemicalCompound:acdMostBpk...	10.678
chemicalCompound:chemblId	CHEMBL13782
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113395
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	TERT-BUTYLAMINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:44639
chemicalCompound:activity	activity:551105, activity:551106, activity:551107, activity:551108, activity:551109, activity:551110, activity:657921, activity:760025, activity:760026, activity:760027, activity:760028, activity:760029, activity:760030