| General Property |
| Molceule ID (DB) | EGIN0003532 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 1 (AG1075) |
| IUPAC Name | (2E)-3-(3-bromo-4,5-dihydroxyphenyl)-N-{3-[(2E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-cyanoprop-2-enamido]propyl}-2-cyanoprop-2-enamide |
| Formula | C23H18Br2N4O6 |
| Mass | 606.22 |
| Exact Mass | 603.9593096 |
| Composition | C (45.57%), H (2.99%), Br (26.36%), N (9.24%), O (15.84%) |
| Atom Count | 53 |
| PI | 3.41 |
| Smiles | C(=Cc1cc(c(c(c1)O)O)Br)(/C(=O)NCCCNC(=O)/C(=C/c1cc(c(c(c1)O)O)Br)/C#N)C#N |
| InChI | 1S/C23H18Br2N4O6/c24-16-6-12(8-18(30)20(16)32)4-14(10-26)22(34)28-2-1-3-29-23(35)15(11-27)5-13-7-17(
25)21(33)19(31)9-13/h4-9,30-33H,1-3H2,(H,28,34)(H,29,35)/b14-4+,15-5+ |
| InChIKey | XYZWEMNNBFBAKA-VHUAAIQRSA-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 | 4486405 341467 |
| ChEMBL Link | CHEMBL144770 |
