| General Property |
| Molceule ID (DB) | EGIN0003842 |
| Inhibitor Class | Pyrimido-indole |
| Molecule Name in Refrence Article | 47 compound |
| IUPAC Name | N-(3-bromophenyl)-2-methyl-9H-pyrimido[4,5-b]indol-4-amine |
| Formula | C17H13BrN4 |
| Mass | 353.216 |
| Exact Mass | 352.0323591 |
| Composition | C (57.81%), H (3.71%), Br (22.62%), N (15.86%) |
| Atom Count | 35 |
| PI | 9.12 |
| Smiles | c12c(c(nc(n2)C)Nc2cc(Br)ccc2)c2c([nH]1)cccc2 |
| InChI | 1S/C17H13BrN4/c1-10-19-16(21-12-6-4-5-11(18)9-12)15-13-7-2-3-8-14(13)22-17(15)20-10/h2-9H,1H3,(H2,19
,20,21,22) |
| InChIKey | SHXYXRGXKBHEBR-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 |
5328395
|
| Drug Bank Link | - |
| ChemSpider Link | 4485560 |
| ChEMBL Link | CHEMBL1195996 |
