| General Property |
| Molceule ID (DB) | EGIN0000353 |
| Inhibitor Class | Thiazepine |
| Molecule Name in Refrence Article | 3s compound |
| IUPAC Name | 7-(3-chloro-2-fluorophenoxy)-13,14-dimethoxy-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene |
| Formula | C19H15ClFN3O3S |
| Mass | 419.857 |
| Exact Mass | 419.050668 |
| Composition | C (54.35%), H (3.6%), Cl (8.44%), F (4.52%), N (10.01%), O (11.43%), S (7.64%) |
| Atom Count | 43 |
| PI | 7.26 |
| Smiles | c12c(ncnc1Oc1c(c(ccc1)Cl)F)Sc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C19H15ClFN3O3S/c1-25-13-6-10-8-22-17-18(27-12-5-3-4-11(20)16(12)21)23-9-24-19(17)28-15(10)7-14(13
)26-2/h3-7,9,22H,8H2,1-2H3 |
| InChIKey | BZYNBGXJTJSBER-UHFFFAOYSA-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 | 16887347 |
| 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 |
11560794
|
| Drug Bank Link | - |
| ChemSpider Link | 9735568 |
| ChEMBL Link | CHEMBL385292 |
