| General Property |
| Molceule ID (DB) | EGIN0003876 |
| Inhibitor Class | Tyrphostin |
| Molecule Name in Refrence Article | 3v (AG825) |
| IUPAC Name | (2E)-3-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-5-methoxyphenyl]-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 | 4.37 |
| Smiles | c1(nc2c(s1)cccc2)Sc1c(c(cc(/C=C(/C(=O)N)C#N)c1)OC)O |
| InChI | 1S/C18H13N3O3S2/c1-24-13-7-10(6-11(9-19)17(20)23)8-15(16(13)22)26-18-21-12-4-2-3-5-14(12)25-18/h2-8,
22H,1H3,(H2,20,23)/b11-6+ |
| InChIKey | CVOBHHJUXHKVTR-IZZDOVSWSA-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 | 10780912 |
| 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 | 23135104 |
| ChEMBL Link | CHEMBL290389 |
