| General Property |
| Molceule ID (DB) | EGIN0000631 |
| Inhibitor Class | Propenamide |
| Molecule Name in Refrence Article | a-Cyano-b-Hydroxy-b-Methyl-N-[4-(Trifluoromethoxy)Phenyl]-Propenamide (LFM-A12) |
| IUPAC Name | (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]but-2-enamide |
| Formula | C12H9F3N2O3 |
| Mass | 286.2067 |
| Exact Mass | 286.0565268 |
| Composition | C (50.36%), H (3.17%), F (19.91%), N (9.79%), O (16.77%) |
| Atom Count | 29 |
| PI | 1.39 |
| Smiles | N(c1ccc(cc1)OC(F)(F)F)C(=O)/C(=C(O)/C)/C#N |
| InChI | 1S/C12H9F3N2O3/c1-7(18)10(6-16)11(19)17-8-2-4-9(5-3-8)20-12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7- |
| InChIKey | JJJXXHCDSQSIFQ-YFHOEESVSA-N |
| 2D Structure |  | Structure Backbone |  |
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| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 10632369 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | BTK | JAK1 | HCK | IR | JAK3 | SYK | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 21395891 |
| ChEMBL Link | - |
