| General Property |
| Molceule ID (DB) | EGIN0001243 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | AG530 |
| IUPAC Name | (2E)-N-(2-chlorophenyl)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Formula | C16H11ClN2O3 |
| Mass | 314.723 |
| Exact Mass | 314.0458199 |
| Composition | C (61.06%), H (3.52%), Cl (11.26%), N (8.9%), O (15.25%) |
| Atom Count | 33 |
| PI | 2.67 |
| Smiles | c1(ccc(c(c1)O)O)/C=C(/C(=O)Nc1ccccc1Cl)C#N |
| InChI | 1S/C16H11ClN2O3/c17-12-3-1-2-4-13(12)19-16(22)11(9-18)7-10-5-6-14(20)15(21)8-10/h1-8,20-21H,(H,19,22
)/b11-7+ |
| InChIKey | NJPHTBIXEKQNKZ-YRNVUSSQSA-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 | 8098709 |
| 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 |
5328774
|
| Drug Bank Link | - |
| ChemSpider Link | 4485936 |
| ChEMBL Link | CHEMBL56219 |
