| General Property |
| Molceule ID (DB) | EGIN0002822 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 54 compound |
| IUPAC Name | (2E)-N-[(1R,2R)-2-chlorocyclohexyl]-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Formula | C16H17ClN2O3 |
| Mass | 320.771 |
| Exact Mass | 320.0927701 |
| Composition | C (59.91%), H (5.34%), Cl (11.05%), N (8.73%), O (14.96%) |
| Atom Count | 39 |
| PI | 4.1 |
| Smiles | N(C(=O)/C(=C/c1cc(c(cc1)O)O)/C#N)[C@@H]1CCCC[C@H]1Cl |
| InChI | 1S/C16H17ClN2O3/c17-12-3-1-2-4-13(12)19-16(22)11(9-18)7-10-5-6-14(20)15(21)8-10/h5-8,12-13,20-21H,1-
4H2,(H,19,22)/b11-7+/t12-,13-/m1/s1 |
| InChIKey | AHXBIACQRSZRLN-PGJRDNSLSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 1676428 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL56219 |
