|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
|
|
chemicalCompound:standardIn... |
WGQKYBSKWIADBV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NCc1ccccc1
|
|
chemicalCompound:molecularF... |
C7H9N
|
|
chemicalCompound:moleculeId |
11694
|
|
chemicalCompound:mwFreebase |
107.153
|
|
chemicalCompound:alogp |
0.935
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
26.02
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.365
|
|
chemicalCompound:acdLogD |
-0.289
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
107.153
|
|
chemicalCompound:acdMostBpk... |
9.06
|
|
chemicalCompound:chemblId |
CHEMBL522
|
|
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 |
BENZYLAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:46151,
activity:46152,
activity:46153,
activity:46154,
activity:46155,
activity:281158,
activity:493042,
activity:493043,
activity:526319,
activity:526320,
activity:526321,
activity:526322,
activity:526323,
activity:526324,
activity:640307,
activity:640308,
activity:640309,
activity:914260,
activity:914261,
activity:914262,
activity:928288,
activity:928289,
activity:928290,
activity:928291,
activity:928292,
activity:928293,
activity:989660,
activity:989661,
activity:1103694,
activity:1409564,
activity:1409565,
activity:1409566,
activity:1409567,
activity:1468911,
activity:1468912,
activity:1468913,
activity:1468914,
activity:1468915,
activity:1468916,
activity:1468917,
activity:1468918,
activity:1468919,
activity:1506332,
activity:1773556,
activity:1773577,
activity:1773621,
activity:1773640,
activity:1773667,
activity:1773668,
activity:2009659,
activity:2009660,
activity:2009661,
activity:2009733,
activity:2009737,
activity:2009738,
activity:2072613,
activity:2072642,
activity:2072659,
activity:2638132,
activity:2638170,
activity:3339700,
activity:3339707,
activity:3339716
|
