|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
|
|
chemicalCompound:standardIn... |
HQABUPZFAYXKJW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCCCN
|
|
chemicalCompound:molecularF... |
C4H11N
|
|
chemicalCompound:moleculeId |
13361
|
|
chemicalCompound:mwFreebase |
73.1368
|
|
chemicalCompound:alogp |
0.681
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
26.02
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.056
|
|
chemicalCompound:acdLogD |
-1.827
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
73.1368
|
|
chemicalCompound:acdMostBpk... |
10.689
|
|
chemicalCompound:chemblId |
CHEMBL13968
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
BUTYLAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:302457,
activity:787953,
activity:787954,
activity:787955,
activity:787956,
activity:787957,
activity:787958,
activity:1506057,
activity:1833428,
activity:1833433,
activity:1833438,
activity:1833443,
activity:1833448,
activity:1833453,
activity:2511085,
activity:2511132,
activity:2511171,
activity:2511210,
activity:2572868
|
