| General Property |
| Molceule ID (DB) | EGIN0001400 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 9b compound |
| IUPAC Name | 2-(1H-imidazol-1-yl)ethyl N-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl}carbamate |
| Formula | C28H27N9O2 |
| Mass | 521.5731 |
| Exact Mass | 521.2287712 |
| Composition | C (64.48%), H (5.22%), N (24.17%), O (6.14%) |
| Atom Count | 66 |
| PI | 9.5 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)NC(=O)OCCn1ccnc1)CC |
| InChI | 1S/C28H27N9O2/c1-2-23-24(34-28(38)39-13-12-35-11-10-29-19-35)17-37-26(23)27(30-18-32-37)33-22-8-9-25
-21(14-22)15-31-36(25)16-20-6-4-3-5-7-20/h3-11,14-15,17-19H,2,12-13,16H2,1H3,(H,34,38)(H,30,32,33) |
| InChIKey | VTLGISZPEUFMGV-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 | Met | FAK | IGF1R | MAPKAP kinase 2 | p38 | ALL |
| Pub Chem Link |
9871380
|
| Drug Bank Link | - |
| ChemSpider Link | 8047070 |
| ChEMBL Link | CHEMBL412367 |
