|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
|
|
chemicalCompound:standardIn... |
RUOKEQAAGRXIBM-GFCCVEGCSA-N
|
|
chemicalCompound:canonicalS... |
C#CCN[C@@H]1CCc2ccccc12
|
|
chemicalCompound:molecularF... |
C12H13N
|
|
chemicalCompound:moleculeId |
75752
|
|
chemicalCompound:mwFreebase |
171.238
|
|
chemicalCompound:alogp |
3.119
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
12.03
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.676
|
|
chemicalCompound:acdLogD |
1.544
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
171.238
|
|
chemicalCompound:acdMostBpk... |
6.95
|
|
chemicalCompound:chemblId |
CHEMBL887
|
|
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 |
RASAGILINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
2006
|
|
chemicalCompound:activity |
activity:729185,
activity:729186,
activity:729187,
activity:729188,
activity:729189,
activity:729190,
activity:729191,
activity:729192,
activity:729193,
activity:729194,
activity:729195,
activity:729196,
activity:729197,
activity:729198,
activity:729199,
activity:729200,
activity:729201,
activity:729202,
activity:1263326,
activity:1263327,
activity:1263328,
activity:1616699,
activity:2077427,
activity:2077436,
activity:2088724,
activity:2088725,
activity:2088726,
activity:7839111,
activity:7839112,
activity:7839113,
activity:7839114,
activity:7839115,
activity:7839116,
activity:7839117,
activity:7839118,
activity:7839119,
activity:7839120,
activity:7839121,
activity:7839122,
activity:7839123,
activity:7839124,
activity:7969100,
activity:7969109
|
