| General Property |
| Molceule ID (DB) | EGIN0003554 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 23 (AG1076) |
| IUPAC Name | (2E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-{[(1E)-2-(3-bromo-4,5-dihydroxyphenyl)-1-cyanoeth-1-en-1-yl]sulfonyl}prop-2-enenitrile |
| Formula | C18H10Br2N2O6S |
| Mass | 542.155 |
| Exact Mass | 539.862632 |
| Composition | C (39.88%), H (1.86%), Br (29.48%), N (5.17%), O (17.71%), S (5.91%) |
| Atom Count | 39 |
| PI | No isoelectric point. |
| Smiles | S(=O)(=O)(/C(=C/c1cc(c(c(c1)O)O)Br)/C#N)/C(=C/c1cc(c(c(c1)O)O)Br)/C#N |
| InChI | 1S/C18H10Br2N2O6S/c19-13-3-9(5-15(23)17(13)25)1-11(7-21)29(27,28)12(8-22)2-10-4-14(20)18(26)16(24)6-
10/h1-6,23-26H/b11-1+,12-2+ |
| InChIKey | VBOBOVYYRHVGSJ-NJDSBKIZSA-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 | 4486422 |
| ChEMBL Link | CHEMBL144791 |
