| General Property |
| Molceule ID (DB) | EGIN0003840 |
| Inhibitor Class | Pyrimido-indole |
| Molecule Name in Refrence Article | 45 compound |
| IUPAC Name | N-(3-bromophenyl)-9-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 | 10.25 |
| Smiles | c12c(c(ncn2)Nc2cc(Br)ccc2)c2c(n1C)cccc2 |
| InChI | 1S/C17H13BrN4/c1-22-14-8-3-2-7-13(14)15-16(19-10-20-17(15)22)21-12-6-4-5-11(18)9-12/h2-10H,1H3,(H,19
,20,21) |
| InChIKey | CNNGEQBPRIKBIC-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 |
5328393
|
| Drug Bank Link | - |
| ChemSpider Link | 4485558 |
| ChEMBL Link | CHEMBL152984 |
