| General Property |
| Molceule ID (DB) | EGIN0001637 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 9 compound |
| IUPAC Name | (2E)-3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4,5-dihydroxyphenyl}-2-cyanoprop-2-enamide |
| Formula | C18H13N3O3S2 |
| Mass | 383.444 |
| Exact Mass | 383.0398327 |
| Composition | C (56.38%), H (3.42%), N (10.96%), O (12.52%), S (16.72%) |
| Atom Count | 39 |
| PI | 4.6 |
| Smiles | c1(cc(c(c(c1)O)O)CSc1nc2c(s1)cccc2)/C=C(C#N)/C(=O)N |
| InChI | 1S/C18H13N3O3S2/c19-8-11(17(20)24)5-10-6-12(16(23)14(22)7-10)9-25-18-21-13-3-1-2-4-15(13)26-18/h1-7,
22-23H,9H2,(H2,20,24)/b11-5+ |
| InChIKey | YKKHGAQJLNLGMM-VZUCSPMQSA-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 |
44345327
|
| Drug Bank Link | - |
| ChemSpider Link | 23201536 |
| ChEMBL Link | CHEMBL333553 |
