| General Property |
| Molceule ID (DB) | EGIN0001249 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 18 compound |
| IUPAC Name | 2-[({5-[(1E)-2-carbamoyl-2-cyanoeth-1-en-1-yl]-2-hydroxy-3-methoxyphenyl}methyl)sulfanyl]benzoic acid |
| Formula | C19H16N2O5S |
| Mass | 384.406 |
| Exact Mass | 384.0779923 |
| Composition | C (59.37%), H (4.2%), N (7.29%), O (20.81%), S (8.34%) |
| Atom Count | 43 |
| PI | 1.26 |
| Smiles | c1(cc(c(c(c1)OC)O)CSc1c(cccc1)C(=O)O)/C=C(/C(=O)N)C#N |
| InChI | 1S/C19H16N2O5S/c1-26-15-8-11(6-12(9-20)18(21)23)7-13(17(15)22)10-27-16-5-3-2-4-14(16)19(24)25/h2-8,2
2H,10H2,1H3,(H2,21,23)(H,24,25)/b12-6+ |
| InChIKey | HHSJLHLCRVVXSC-WUXMJOGZSA-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 | 7902440 | 8098709 | |
| 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 |
44345336
|
| Drug Bank Link | - |
| ChemSpider Link | 23201544 |
| ChEMBL Link | CHEMBL119987 |
