| Stereochemistry | RACEMIC |
| Molecular Formula | C11H14N2.C4H4O4 |
| Molecular Weight | 290.3144 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CC(N)CC1=CC2=C(C=CN2)C=C1
InChI
InChIKey=XKFGCLQBEJVGQK-BTJKTKAUSA-N
InChI=1S/C11H14N2.C4H4O4/c1-8(12)6-9-2-3-10-4-5-13-11(10)7-9;5-3(6)1-2-4(7)8/h2-5,7-8,13H,6,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C11H14N2 |
| Molecular Weight | 174.2423 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
| 4.6 µM [IC50] |
|
|
PARENT -> SALT/SOLVATE | |||
|
|
PARENT -> SALT/SOLVATE |
Showing 1 to 2 of 2 entries