| General Property |
| Molceule ID (DB) | EGIN0003841 |
| Inhibitor Class | Pyrimido-indole |
| Molecule Name in Refrence Article | 46 compound |
| IUPAC Name | N-(3-bromophenyl)-9-[2-(diethylamino)ethyl]-9H-pyrimido[4,5-b]indol-4-amine |
| Formula | C22H24BrN5 |
| Mass | 438.363 |
| Exact Mass | 437.1215084 |
| Composition | C (60.28%), H (5.52%), Br (18.23%), N (15.98%) |
| Atom Count | 52 |
| PI | 12.69 |
| Smiles | c12c(c(ncn2)Nc2cc(Br)ccc2)c2c(n1CCN(CC)CC)cccc2 |
| InChI | 1S/C22H24BrN5/c1-3-27(4-2)12-13-28-19-11-6-5-10-18(19)20-21(24-15-25-22(20)28)26-17-9-7-8-16(23)14-1
7/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,24,25,26) |
| InChIKey | XBYDJMWHBZJNBH-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 | 10639288 |
| 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 |
5328394
|
| Drug Bank Link | - |
| ChemSpider Link | 4485559 |
| ChEMBL Link | CHEMBL448730 |
