| General Property |
| Molceule ID (DB) | EGIN0001371 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 8f compound |
| IUPAC Name | 1-[(4-{[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]amino}pyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl]piperidin-4-amine |
| Formula | C24H26ClN7O |
| Mass | 463.963 |
| Exact Mass | 463.1887362 |
| Composition | C (62.13%), H (5.65%), Cl (7.64%), N (21.13%), O (3.45%) |
| Atom Count | 59 |
| PI | 12.74 |
| Smiles | n1cnn2c(c1Nc1ccc(c(c1)Cl)OCc1cccnc1)c(cc2)CN1CC[C@H](CC1)N |
| InChI | 1S/C24H26ClN7O/c25-21-12-20(3-4-22(21)33-15-17-2-1-8-27-13-17)30-24-23-18(5-11-32(23)29-16-28-24)14-
31-9-6-19(26)7-10-31/h1-5,8,11-13,16,19H,6-7,9-10,14-15,26H2,(H,28,29,30) |
| InChIKey | VTBGXVHIEWGJBV-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 | 17606372 |
| 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 |
11684098
|
| Drug Bank Link | - |
| ChemSpider Link | 9858826 |
| ChEMBL Link | CHEMBL391387 |
