| General Property |
| Molceule ID (DB) | EGIN0003553 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 22 (AG982) |
| IUPAC Name | (2E)-2-{[(1E)-1-cyano-2-(3,4-dihydroxyphenyl)eth-1-en-1-yl]sulfonyl}-3-(3,4-dihydroxyphenyl)prop-2-enenitrile |
| Formula | C18H12N2O6S |
| Mass | 384.363 |
| Exact Mass | 384.0416068 |
| Composition | C (56.25%), H (3.15%), N (7.29%), O (24.98%), S (8.34%) |
| Atom Count | 39 |
| PI | No isoelectric point. |
| Smiles | S(=O)(=O)(/C(=C/c1cc(c(cc1)O)O)/C#N)/C(=C/c1cc(c(cc1)O)O)/C#N |
| InChI | 1S/C18H12N2O6S/c19-9-13(5-11-1-3-15(21)17(23)7-11)27(25,26)14(10-20)6-12-2-4-16(22)18(24)8-12/h1-8,2
1-24H/b13-5+,14-6+ |
| InChIKey | JMRYQFOYVAUPPK-ACFHMISVSA-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 | 4486421 |
| ChEMBL Link | CHEMBL356324 |
