| General Property |
| Molceule ID (DB) | EGIN0001477 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 38 compound |
| IUPAC Name | 1-[(1S)-1-(3-fluorophenyl)ethyl]-N-(5-{[(2S)-morpholin-2-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-indazol-5-amine |
| Formula | C27H28FN7O2 |
| Mass | 501.5553 |
| Exact Mass | 501.2288514 |
| Composition | C (64.66%), H (5.63%), F (3.79%), N (19.55%), O (6.38%) |
| Atom Count | 65 |
| PI | 11.42 |
| Smiles | [C@H]1(CNCCO1)COCc1c2c(ncnn2cc1)Nc1ccc2c(c1)cnn2[C@H](c1cccc(c1)F)C |
| InChI | 1S/C27H28FN7O2/c1-18(19-3-2-4-22(28)11-19)35-25-6-5-23(12-21(25)13-31-35)33-27-26-20(7-9-34(26)32-17
-30-27)15-36-16-24-14-29-8-10-37-24/h2-7,9,11-13,17-18,24,29H,8,10,14-16H2,1H3,(H,30,32,33)/t18-,24-
/m0/s1 |
| InChIKey | SGYAQGSCPQGXLC-UUOWRZLLSA-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 |
44440844
|
| Drug Bank Link | - |
| ChemSpider Link | 23305128 |
| ChEMBL Link | CHEMBL397122 |
