| General Property |
| Molceule ID (DB) | EGIN0001376 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 5a compound |
| IUPAC Name | ethyl 4-[(3-chloro-4-fluorophenyl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
| Formula | C17H16ClFN4O2 |
| Mass | 362.786 |
| Exact Mass | 362.0945817 |
| Composition | C (56.28%), H (4.45%), Cl (9.77%), F (5.24%), N (15.44%), O (8.82%) |
| Atom Count | 41 |
| PI | 7.76 |
| Smiles | n1cnn2c(c1Nc1ccc(c(c1)Cl)F)c(c(c2)C(=O)OCC)CC |
| InChI | 1S/C17H16ClFN4O2/c1-3-11-12(17(24)25-4-2)8-23-15(11)16(20-9-21-23)22-10-5-6-14(19)13(18)7-10/h5-9H,3
-4H2,1-2H3,(H,20,21,22) |
| InChIKey | DCVODVBLQRXBMG-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 |
23646535
|
| Drug Bank Link | - |
| ChemSpider Link | 23261302 |
| ChEMBL Link | CHEMBL196018 |
