| General Property |
| Molceule ID (DB) | EGIN0001398 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 7d compound |
| IUPAC Name | 4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N-[3-(1H-imidazol-1-yl)propyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide |
| Formula | C29H29N9O |
| Mass | 519.6003 |
| Exact Mass | 519.2495066 |
| Composition | C (67.03%), H (5.63%), N (24.26%), O (3.08%) |
| Atom Count | 68 |
| PI | 10.43 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)C(=O)NCCCn1ccnc1)CC |
| InChI | 1S/C29H29N9O/c1-2-24-25(29(39)31-11-6-13-36-14-12-30-20-36)18-38-27(24)28(32-19-34-38)35-23-9-10-26-
22(15-23)16-33-37(26)17-21-7-4-3-5-8-21/h3-5,7-10,12,14-16,18-20H,2,6,11,13,17H2,1H3,(H,31,39)(H,32,
34,35) |
| InChIKey | TYIJYIGEKOSLCM-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 |
21945968
|
| Drug Bank Link | - |
| ChemSpider Link | 10700502 |
| ChEMBL Link | CHEMBL193681 |
