| General Property |
| Molceule ID (DB) | EGIN0002537 |
| Inhibitor Class | Pyrrolo-triazine |
| Molecule Name in Refrence Article | 7b compound |
| IUPAC Name | N-(3-ethynylphenyl)-5-{[(2S)-morpholin-2-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine |
| Formula | C20H21N5O2 |
| Mass | 363.413 |
| Exact Mass | 363.1695249 |
| Composition | C (66.1%), H (5.82%), N (19.27%), O (8.81%) |
| Atom Count | 48 |
| PI | 11.56 |
| Smiles | n1cnc(c2n1ccc2COC[C@@H]1CNCCO1)Nc1cc(ccc1)C#C |
| InChI | 1S/C20H21N5O2/c1-2-15-4-3-5-17(10-15)24-20-19-16(6-8-25(19)23-14-22-20)12-26-13-18-11-21-7-9-27-18/h
1,3-6,8,10,14,18,21H,7,9,11-13H2,(H,22,23,24)/t18-/m0/s1 |
| InChIKey | NRLAWORQYLUKAL-SFHVURJKSA-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 | 21177105 |
| 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 |
53318118
|
| Drug Bank Link | - |
| ChemSpider Link | 26380313 |
| ChEMBL Link | CHEMBL1645465 |
