| General Property |
| Molceule ID (DB) | EGIN0000335 |
| Inhibitor Class | Thiazepine |
| Molecule Name in Refrence Article | 3a compound |
| IUPAC Name | N-(3-bromophenyl)-13,14-dimethoxy-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C19H17BrN4O2S |
| Mass | 445.333 |
| Exact Mass | 444.0255591 |
| Composition | C (51.24%), H (3.85%), Br (17.94%), N (12.58%), O (7.19%), S (7.2%) |
| Atom Count | 44 |
| PI | 8.49 |
| Smiles | c12c(ncnc1Nc1cc(ccc1)Br)Sc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C19H17BrN4O2S/c1-25-14-6-11-9-21-17-18(24-13-5-3-4-12(20)7-13)22-10-23-19(17)27-16(11)8-15(14)26-
2/h3-8,10,21H,9H2,1-2H3,(H,22,23,24) |
| InChIKey | ZWXBOUXHSQCYIY-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 |
11619195
|
| Drug Bank Link | - |
| ChemSpider Link | 9793943 |
| ChEMBL Link | CHEMBL425965 |
