65961

Source:http://linkedlifedata.com/resource/chembl/compound/65961

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
chemicalCompound:standardIn...	QEMXHQIAXOOASZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C[N+](C)(C)C
chemicalCompound:molecularF...	C4H12N
chemicalCompound:moleculeId	65961
chemicalCompound:mwFreebase	74.1448
chemicalCompound:alogp	-1.035
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	0
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-2.898
chemicalCompound:acdLogD	-2.898
chemicalCompound:fullMwt	74.1448
chemicalCompound:chemblId	CHEMBL46486
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:165961
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:46020
chemicalCompound:activity	activity:186645, activity:1277766, activity:1277767