| General Property |
| Molceule ID (DB) | EGIN0004088 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1e compound |
| IUPAC Name | 2-({[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}amino)ethan-1-ol |
| Formula | C23H22FN7O |
| Mass | 431.4655 |
| Exact Mass | 431.1869866 |
| Composition | C (64.03%), H (5.14%), F (4.4%), N (22.72%), O (3.71%) |
| Atom Count | 54 |
| PI | 11.64 |
| Smiles | c1(c2n(ncn1)ccc2CNCCO)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F |
| InChI | 1S/C23H22FN7O/c24-19-3-1-2-16(10-19)14-31-21-5-4-20(11-18(21)13-27-31)29-23-22-17(12-25-7-9-32)6-8-3
0(22)28-15-26-23/h1-6,8,10-11,13,15,25,32H,7,9,12,14H2,(H,26,28,29) |
| InChIKey | OYULNTIUXDXAGV-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 | 17368025 |
| 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 |
10159833
|
| Drug Bank Link | - |
| ChemSpider Link | 8335341 |
| ChEMBL Link | CHEMBL391321 |
