| General Property |
| Molceule ID (DB) | EGIN0000342 |
| Inhibitor Class | Thiazepine |
| Molecule Name in Refrence Article | 3h compound |
| IUPAC Name | N-(3-bromophenyl)-13,14-dimethoxy-5-methyl-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C20H19BrN4O2S |
| Mass | 459.359 |
| Exact Mass | 458.0412092 |
| Composition | C (52.29%), H (4.17%), Br (17.39%), N (12.2%), O (6.97%), S (6.98%) |
| Atom Count | 47 |
| PI | 8.96 |
| Smiles | c12c(nc(nc1Nc1cc(ccc1)Br)C)Sc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C20H19BrN4O2S/c1-11-23-19(25-14-6-4-5-13(21)8-14)18-20(24-11)28-17-9-16(27-3)15(26-2)7-12(17)10-2
2-18/h4-9,22H,10H2,1-3H3,(H,23,24,25) |
| InChIKey | MEFKCNDTZHOSPM-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 |
11561637
|
| Drug Bank Link | - |
| ChemSpider Link | 9736411 |
| ChEMBL Link | CHEMBL425083 |
