| General Property |
| Molceule ID (DB) | EGIN0001380 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 5e compound |
| IUPAC Name | ethyl 4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
| Formula | C25H24N6O2 |
| Mass | 440.4971 |
| Exact Mass | 440.196074 |
| Composition | C (68.17%), H (5.49%), N (19.08%), O (7.26%) |
| Atom Count | 57 |
| PI | 8.01 |
| Smiles | c1(ccccc1)Cn1c2ccc(Nc3ncnn4c3c(c(c4)C(=O)OCC)CC)cc2cn1 |
| InChI | 1S/C25H24N6O2/c1-3-20-21(25(32)33-4-2)15-31-23(20)24(26-16-28-31)29-19-10-11-22-18(12-19)13-27-30(22
)14-17-8-6-5-7-9-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,28,29) |
| InChIKey | DLQGOUYSCARQKO-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 |
23589545
|
| Drug Bank Link | - |
| ChemSpider Link | 19705446 |
| ChEMBL Link | CHEMBL196925 |
