|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
|
|
chemicalCompound:standardIn... |
VHGCDTVCOLNTBX-QGZVFWFLSA-N
|
|
chemicalCompound:canonicalS... |
CNCC[C@@H](Oc1ccccc1C)c2ccccc2
|
|
chemicalCompound:molecularF... |
C17H21NO
|
|
chemicalCompound:moleculeId |
27342
|
|
chemicalCompound:mwFreebase |
255.355
|
|
chemicalCompound:alogp |
3.577
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
21.26
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.359
|
|
chemicalCompound:acdLogD |
0.767
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
255.355
|
|
chemicalCompound:acdMostBpk... |
10.154
|
|
chemicalCompound:chemblId |
CHEMBL641
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ATOMOXETINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
2002
|
|
chemicalCompound:activity |
activity:154562,
activity:154563,
activity:154564,
activity:154565,
activity:154566,
activity:154567,
activity:154568,
activity:449404,
activity:449405,
activity:449406,
activity:641498,
activity:641499,
activity:641500,
activity:717098,
activity:717099,
activity:717100,
activity:1175927,
activity:1175928,
activity:1175929,
activity:1230149,
activity:1440300,
activity:1440301,
activity:1440302,
activity:1440303,
activity:2060248,
activity:2100181,
activity:2100221,
activity:2100262,
activity:2169309,
activity:2169358,
activity:2169404,
activity:2169450,
activity:2169451,
activity:2169452,
activity:2169453,
activity:2169467,
activity:2169471,
activity:2242030,
activity:2242033,
activity:2242074,
activity:2243435,
activity:2243436,
activity:2243437,
activity:2243438,
activity:2243439,
activity:2243555,
activity:2265481,
activity:2265482,
activity:2265483,
activity:2357402,
activity:2397188,
activity:2397192,
activity:2397213,
activity:2397229,
activity:2397248,
activity:2397269,
activity:2397278,
activity:2397345,
activity:2397355,
activity:2397374
|
