| General Property |
| Molceule ID (DB) | EGIN0003555 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 24 (AG1068) |
| IUPAC Name | (2E)-2-{[(1E)-1-cyano-2-(3,4-dihydroxy-5-methoxyphenyl)eth-1-en-1-yl]sulfonyl}-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enenitrile |
| Formula | C20H16N2O8S |
| Mass | 444.415 |
| Exact Mass | 444.0627362 |
| Composition | C (54.05%), H (3.63%), N (6.3%), O (28.8%), S (7.22%) |
| Atom Count | 47 |
| PI | 1.72 |
| Smiles | S(=O)(=O)(/C(=C/c1cc(c(c(c1)OC)O)O)/C#N)/C(=C/c1cc(c(c(c1)OC)O)O)/C#N |
| InChI | 1S/C20H16N2O8S/c1-29-17-7-11(5-15(23)19(17)25)3-13(9-21)31(27,28)14(10-22)4-12-6-16(24)20(26)18(8-12
)30-2/h3-8,23-26H,1-2H3/b13-3+,14-4+ |
| InChIKey | RALUAQCUICRVFY-NPJRDEIVSA-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 | 4486423 |
| ChEMBL Link | CHEMBL342792 |
