|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
|
|
chemicalCompound:standardIn... |
MEZLKOACVSPNER-GFCCVEGCSA-N
|
|
chemicalCompound:canonicalS... |
C[C@H](Cc1ccccc1)N(C)CC#C
|
|
chemicalCompound:molecularF... |
C13H17N
|
|
chemicalCompound:moleculeId |
96021
|
|
chemicalCompound:mwFreebase |
187.281
|
|
chemicalCompound:alogp |
3.794
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
3.24
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.682
|
|
chemicalCompound:acdLogD |
2.31
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
187.281
|
|
chemicalCompound:acdMostBpk... |
7.532
|
|
chemicalCompound:chemblId |
CHEMBL972
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
SELEGILINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1989
|
|
chemicalCompound:activity |
activity:167641,
activity:167642,
activity:167643,
activity:167644,
activity:167645,
activity:167646,
activity:167647,
activity:167648,
activity:167649,
activity:167650,
activity:167651,
activity:167652,
activity:167653,
activity:167654,
activity:167655,
activity:167656,
activity:167657,
activity:225769,
activity:225770,
activity:225771,
activity:225772,
activity:225773,
activity:225774,
activity:249327,
activity:249328,
activity:249329,
activity:249330,
activity:249331,
activity:249332,
activity:249333,
activity:249334,
activity:249335,
activity:249336,
activity:249337,
activity:401419,
activity:401420,
activity:401421,
activity:467887,
activity:477904,
activity:477905,
activity:477906,
activity:638772,
activity:638773,
activity:849713,
activity:896419,
activity:896420,
activity:896421,
activity:896422,
activity:933033,
activity:933034,
activity:933035,
activity:933036,
activity:933037,
activity:933038,
activity:933039,
activity:1065906
|
