| General Property |
| Molceule ID (DB) | EGIN0003549 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 18 (AG592) |
| IUPAC Name | (2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1r,4r)-4-{[(1r,4r)-4-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]cyclohexyl]methyl}cyclohexyl]prop-2-enamide |
| Formula | C33H36N4O6 |
| Mass | 584.6621 |
| Exact Mass | 584.2634849 |
| Composition | C (67.79%), H (6.21%), N (9.58%), O (16.42%) |
| Atom Count | 79 |
| PI | 4.34 |
| Smiles | C(=Cc1cc(c(cc1)O)O)(/C(=O)N[C@@H]1CC[C@@H](C[C@@H]2CC[C@@H](NC(=O)/C(=C/c3cc(c(cc3)O)O)/C#N)CC2)CC1)C#N |
| InChI | 1S/C33H36N4O6/c34-18-24(14-22-5-11-28(38)30(40)16-22)32(42)36-26-7-1-20(2-8-26)13-21-3-9-27(10-4-21)
37-33(43)25(19-35)15-23-6-12-29(39)31(41)17-23/h5-6,11-12,14-17,20-21,26-27,38-41H,1-4,7-10,13H2,(H,
36,42)(H,37,43)/b24-14+,25-15+/t20-,21-,26-,27- |
| InChIKey | VEPQEAOWDILSHB-RTMNNBHUSA-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 | 8960549 |
| 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 | 4578420 332531 |
| ChEMBL Link | CHEMBL147880 |
