| General Property |
| Molceule ID (DB) | EGIN0003843 |
| Inhibitor Class | Pyrimido-indole |
| Molecule Name in Refrence Article | 48 compound |
| IUPAC Name | 4-N-(3-bromophenyl)-9H-pyrimido[4,5-b]indole-2,4-diamine |
| Formula | C16H12BrN5 |
| Mass | 354.204 |
| Exact Mass | 353.0276081 |
| Composition | C (54.25%), H (3.41%), Br (22.56%), N (19.77%) |
| Atom Count | 34 |
| PI | 9.59 |
| Smiles | c12c(c(nc(n1)N)Nc1cc(Br)ccc1)c1c([nH]2)cccc1 |
| InChI | 1S/C16H12BrN5/c17-9-4-3-5-10(8-9)19-14-13-11-6-1-2-7-12(11)20-15(13)22-16(18)21-14/h1-8H,(H4,18,19,2
0,21,22) |
| InChIKey | NOUNTOCKLNSANP-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 |
5328396
|
| Drug Bank Link | - |
| ChemSpider Link | 4485561 |
| ChEMBL Link | CHEMBL345988 |
