| General Property |
| Molceule ID (DB) | EGIN0001361 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 32 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-{[(2S)-morpholin-2-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine |
| Formula | C25H25ClFN5O3 |
| Mass | 497.949 |
| Exact Mass | 497.1629956 |
| Composition | C (60.3%), H (5.06%), Cl (7.12%), F (3.82%), N (14.06%), O (9.64%) |
| Atom Count | 60 |
| PI | 11.72 |
| Smiles | [C@H]1(CNCCO1)COCc1c2c(ncnn2cc1)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F |
| InChI | 1S/C25H25ClFN5O3/c26-22-11-20(4-5-23(22)35-13-17-2-1-3-19(27)10-17)31-25-24-18(6-8-32(24)30-16-29-25
)14-33-15-21-12-28-7-9-34-21/h1-6,8,10-11,16,21,28H,7,9,12-15H2,(H,29,30,31)/t21-/m0/s1 |
| InChIKey | AXXNPLIUJGQSAQ-NRFANRHFSA-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 | 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 |
44440837
|
| Drug Bank Link | - |
| ChemSpider Link | 23305120 |
| ChEMBL Link | CHEMBL246493 |
