| General Property |
| Molceule ID (DB) | EGIN0001381 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 5f compound |
| IUPAC Name | ethyl 5-ethyl-4-[(4-phenoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
| Formula | C23H22N4O3 |
| Mass | 402.4458 |
| Exact Mass | 402.1691906 |
| Composition | C (68.64%), H (5.51%), N (13.92%), O (11.93%) |
| Atom Count | 52 |
| PI | 8.03 |
| Smiles | n1cnn2c(c1Nc1ccc(cc1)Oc1ccccc1)c(c(c2)C(=O)OCC)CC |
| InChI | 1S/C23H22N4O3/c1-3-19-20(23(28)29-4-2)14-27-21(19)22(24-15-25-27)26-16-10-12-18(13-11-16)30-17-8-6-5
-7-9-17/h5-15H,3-4H2,1-2H3,(H,24,25,26) |
| InChIKey | SXUTWMUWKOLBDA-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 |
23646539
|
| Drug Bank Link | - |
| ChemSpider Link | 23261321 |
| ChEMBL Link | CHEMBL194349 |
