| General Property |
| Molceule ID (DB) | EGIN0001365 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | N-[5-(1,4-diazepan-1-ylmethyl)-6-methoxypyrrolo[2,1-f][1,2,4]triazin-4-yl]-1-[(3-fluorophenyl)methyl]-1H-indazol-5-amine |
| Formula | C27H29FN8O |
| Mass | 500.5706 |
| Exact Mass | 500.2448358 |
| Composition | C (64.78%), H (5.84%), F (3.8%), N (22.39%), O (3.2%) |
| Atom Count | 66 |
| PI | 12.1 |
| Smiles | n1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(c(c2)OC)CN1CCNCCC1 |
| InChI | 1S/C27H29FN8O/c1-37-25-17-36-26(23(25)16-34-10-3-8-29-9-11-34)27(30-18-32-36)33-22-6-7-24-20(13-22)1
4-31-35(24)15-19-4-2-5-21(28)12-19/h2,4-7,12-14,17-18,29H,3,8-11,15-16H2,1H3,(H,30,32,33) |
| InChIKey | YDACLKUOFPGAGO-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 | 17368025 | 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 |
44441012
|
| Drug Bank Link | - |
| ChemSpider Link | 23305267 |
| ChEMBL Link | CHEMBL247711 |
