| General Property |
| Molceule ID (DB) | EGIN0003839 |
| Inhibitor Class | Pyrimido-indole |
| Molecule Name in Refrence Article | 44 compound |
| IUPAC Name | N-(3-bromophenyl)-3H-pyrimido[4,5-b]indol-4-amine |
| Formula | C16H11BrN4 |
| Mass | 339.189 |
| Exact Mass | 338.016709 |
| Composition | C (56.66%), H (3.27%), Br (23.56%), N (16.52%) |
| Atom Count | 32 |
| PI | 5.34 |
| Smiles | c12c(nc3c2cccc3)nc[nH]c1Nc1cc(Br)ccc1 |
| InChI | 1S/C16H11BrN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,
21) |
| InChIKey | MHRKNNUUCCNFPI-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 |
5328392
|
| Drug Bank Link | - |
| ChemSpider Link | 4485557 |
| ChEMBL Link | CHEMBL423224 |
