| General Property |
| Molceule ID (DB) | EGIN0001399 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8a compound |
| IUPAC Name | 3-(1H-imidazol-1-yl)propyl 4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate |
| Formula | C29H28N8O2 |
| Mass | 520.585 |
| Exact Mass | 520.2335222 |
| Composition | C (66.91%), H (5.42%), N (21.52%), O (6.15%) |
| Atom Count | 67 |
| PI | 10.66 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)C(=O)OCCCn1ccnc1)CC |
| InChI | 1S/C29H28N8O2/c1-2-24-25(29(38)39-14-6-12-35-13-11-30-20-35)18-37-27(24)28(31-19-33-37)34-23-9-10-26
-22(15-23)16-32-36(26)17-21-7-4-3-5-8-21/h3-5,7-11,13,15-16,18-20H,2,6,12,14,17H2,1H3,(H,31,33,34) |
| InChIKey | CQTPFJKIPFEALQ-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 |
23646550
|
| Drug Bank Link | - |
| ChemSpider Link | 23261285 |
| ChEMBL Link | CHEMBL193368 |
