| General Property |
| Molceule ID (DB) | EGIN0001377 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 5b compound |
| IUPAC Name | ethyl 4-[(3-bromophenyl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
| Formula | C17H17BrN4O2 |
| Mass | 389.246 |
| Exact Mass | 388.0534885 |
| Composition | C (52.46%), H (4.4%), Br (20.53%), N (14.39%), O (8.22%) |
| Atom Count | 41 |
| PI | 7.72 |
| Smiles | n1cnn2c(c1Nc1cccc(c1)Br)c(c(c2)C(=O)OCC)CC |
| InChI | 1S/C17H17BrN4O2/c1-3-13-14(17(23)24-4-2)9-22-15(13)16(19-10-20-22)21-12-7-5-6-11(18)8-12/h5-10H,3-4H
2,1-2H3,(H,19,20,21) |
| InChIKey | ZCKGARDCKJFLRH-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 | 16111887 |
| 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 |
23646536
|
| Drug Bank Link | - |
| ChemSpider Link | 23261307 |
| ChEMBL Link | CHEMBL370934 |
