| General Property |
| Molceule ID (DB) | EGIN0005187 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3i |
| IUPAC Name | 2E)‐4‐(dimethylamino)‐N‐{3‐[7‐oxo‐2‐(phenylamino)‐7,8‐dihydropteridin‐8‐yl]phenyl}but‐2‐enamide |
| Formula | C24H23N7O2 |
| Mass | 441.4851 |
| Exact Mass | 441.191323015 |
| Composition | C (65.29%), H (5.25%), N (22.21%), O (7.25%) |
| Atom Count | 56 |
| PI | 10.96 |
| Smiles | [H]N(C(=O)C([H])=C(/[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C([H])=C([H])C(=C1[H])N1C(=O)C([H])=NC2=C1N=C(N=C2[H])N([H])C1=C([H])C([H])=C([H])C([H])=C1[H] |
| InChI | 1S/C24H23N7O2/c1-30(2)13-7-12-21(32)27-18-10-6-11-19(14-18)31-22(33)16-25-20-15-26-24(29-23(20)31)28
-17-8-4-3-5-9-17/h3-12,14-16H,13H2,1-2H3,(H,27,32)(H,26,28,29)/b12-7+ |
| InChIKey | DYLDTESCOKKPMG-KPKJPENVSA-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 | 24053674 |
| 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 |
72203134
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
