| General Property |
| Molceule ID (DB) | EGIN0001650 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | 3-[({5-[(1E)-2-carbamoyl-2-cyanoeth-1-en-1-yl]-2-hydroxy-3-methoxyphenyl}methyl)sulfanyl]propanoic acid |
| Formula | C15H16N2O5S |
| Mass | 336.363 |
| Exact Mass | 336.0779923 |
| Composition | C (53.56%), H (4.79%), N (8.33%), O (23.78%), S (9.53%) |
| Atom Count | 39 |
| PI | 1.44 |
| Smiles | c1(cc(c(c(c1)OC)O)CSCCC(=O)O)/C=C(C#N)/C(=O)N |
| InChI | 1S/C15H16N2O5S/c1-22-12-6-9(4-10(7-16)15(17)21)5-11(14(12)20)8-23-3-2-13(18)19/h4-6,20H,2-3,8H2,1H3,
(H2,17,21)(H,18,19)/b10-4+ |
| InChIKey | YYMPEPWCZBKSOU-ONNFQVAWSA-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 |
| 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 |
44345675
|
| Drug Bank Link | - |
| ChemSpider Link | 23201873 |
| ChEMBL Link | CHEMBL424625 |
