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 | ![](./image/EGIN0000631.png) | Structure Backbone | ![](./frame/f_EGIN0000631.png) |
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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 | - |