|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
|
|
chemicalCompound:standardIn... |
ONIBWKKTOPOVIA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)C1CCCN1
|
|
chemicalCompound:molecularF... |
C5 H9 N O2
|
|
chemicalCompound:moleculeId |
116885
|
|
chemicalCompound:mwFreebase |
115.13
|
|
chemicalCompound:alogp |
-2.843
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
49.33
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
2.351
|
|
chemicalCompound:acdLogP |
-0.06
|
|
chemicalCompound:acdLogD |
-2.56
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
115.13
|
|
chemicalCompound:acdMostBpk... |
11.114
|
|
chemicalCompound:chemblId |
CHEMBL72275
|
|
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 |
PROLINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:903435,
activity:1061862,
activity:1239285,
activity:4383441,
activity:5986478,
activity:7078440,
activity:8228851,
activity:8239128,
activity:8351551,
activity:8383712,
activity:8420874,
activity:8463197,
activity:8500863,
activity:8547973,
activity:8563686,
activity:8617447,
activity:8624542,
activity:8687394,
activity:8707166,
activity:8733673,
activity:8740658,
activity:8837695,
activity:8877833,
activity:8938240,
activity:8941581,
activity:8983171,
activity:9045986,
activity:9076129,
activity:9096001,
activity:9142492,
activity:9162632,
activity:9259946,
activity:9271253,
activity:9331184,
activity:9400412,
activity:9403021,
activity:9479544,
activity:9482113,
activity:9518437,
activity:9654942,
activity:9766004,
activity:9794126,
activity:9826971,
activity:9837876,
activity:9875521,
activity:9909358,
activity:9988541,
activity:10008372,
activity:10112403,
activity:10120886,
activity:10125104,
activity:10149484,
activity:10229206,
activity:10290617,
activity:10356610,
activity:10380129,
activity:10402996,
activity:10477557,
activity:10496035,
activity:10644422,
activity:10679412,
activity:10725299,
activity:10776951
|
