| General Property |
| Molceule ID (DB) | EGIN0001360 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 1n compound |
| IUPAC Name | N-{5-[(4-amino-4-methylpiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1-[(3-fluorophenyl)methyl]-1H-indazol-5-amine |
| Formula | C27H29FN8 |
| Mass | 484.5712 |
| Exact Mass | 484.2499212 |
| Composition | C (66.92%), H (6.03%), F (3.92%), N (23.12%) |
| Atom Count | 65 |
| PI | 12.55 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1CC[C@](CC1)(N)C |
| InChI | 1S/C27H29FN8/c1-27(29)8-11-34(12-9-27)17-20-7-10-35-25(20)26(30-18-32-35)33-23-5-6-24-21(14-23)15-31
-36(24)16-19-3-2-4-22(28)13-19/h2-7,10,13-15,18H,8-9,11-12,16-17,29H2,1H3,(H,30,32,33) |
| InChIKey | XBSPHUIHEWDMHZ-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 |
22390524
|
| Drug Bank Link | - |
| ChemSpider Link | 11389061 |
| ChEMBL Link | CHEMBL393264 |
