| General Property |
| Molceule ID (DB) | EGIN0001478 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 45 compound |
| IUPAC Name | 1-[(3-fluorophenyl)methyl]-N-(6-methoxy-5-{[(2S)-morpholin-2-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-indazol-5-amine |
| Formula | C27H28FN7O3 |
| Mass | 517.5547 |
| Exact Mass | 517.223766 |
| Composition | C (62.66%), H (5.45%), F (3.67%), N (18.94%), O (9.27%) |
| Atom Count | 66 |
| PI | 11.28 |
| Smiles | [C@H]1(CNCCO1)COCc1c2c(ncnn2cc1OC)Nc1ccc2c(c1)cnn2Cc1cccc(c1)F |
| InChI | 1S/C27H28FN7O3/c1-36-25-14-35-26(23(25)16-37-15-22-12-29-7-8-38-22)27(30-17-32-35)33-21-5-6-24-19(10
-21)11-31-34(24)13-18-3-2-4-20(28)9-18/h2-6,9-11,14,17,22,29H,7-8,12-13,15-16H2,1H3,(H,30,32,33)/t22
-/m0/s1 |
| InChIKey | RKYBUDCAJWXFQO-QFIPXVFZSA-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 | 17270437 |
| 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 |
44440874
|
| Drug Bank Link | - |
| ChemSpider Link | 23305157 |
| ChEMBL Link | CHEMBL395883 |
