| General Property |
| Molceule ID (DB) | EGIN0003534 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 3 (AG548) |
| IUPAC Name | (2E)-2-cyano-N-{2-[(2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamido]ethyl}-3-(3,4-dihydroxyphenyl)prop-2-enamide |
| Formula | C22H18N4O6 |
| Mass | 434.4015 |
| Exact Mass | 434.1226343 |
| Composition | C (60.83%), H (4.18%), N (12.9%), O (22.1%) |
| Atom Count | 50 |
| PI | 3.64 |
| Smiles | C(=Cc1cc(c(cc1)O)O)(/C(=O)NCCNC(=O)/C(=C/c1cc(c(cc1)O)O)/C#N)C#N |
| InChI | 1S/C22H18N4O6/c23-11-15(7-13-1-3-17(27)19(29)9-13)21(31)25-5-6-26-22(32)16(12-24)8-14-2-4-18(28)20(3
0)10-14/h1-4,7-10,27-30H,5-6H2,(H,25,31)(H,26,32)/b15-7+,16-8+ |
| InChIKey | PZIRTMUUDNWDHP-BGPOSVGRSA-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 | 4486407 8108248 24813480 |
| ChEMBL Link | CHEMBL144908 |
