| General Property |
| Molceule ID (DB) | EGIN0005198 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3u |
| IUPAC Name | N‐(3‐{2‐[(4‐acetamidophenyl)amino]‐7‐oxo‐7,8‐dihydropteridin‐8‐yl}phenyl)prop‐2‐enamide |
| Formula | C23H19N7O3 |
| Mass | 441.4421 |
| Exact Mass | 441.154937509 |
| Composition | C (62.58%), H (4.34%), N (22.21%), O (10.87%) |
| Atom Count | 52 |
| PI | 6.66 |
| Smiles | [H]C([H])=C([H])C(=O)N([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(N([H])C(=O)C([H])([H])[H])C([H])=C1[H] |
| InChI | 1S/C23H19N7O3/c1-3-20(32)27-17-5-4-6-18(11-17)30-21(33)13-24-19-12-25-23(29-22(19)30)28-16-9-7-15(8-
10-16)26-14(2)31/h3-13H,1H2,2H3,(H,26,31)(H,27,32)(H,25,28,29) |
| InChIKey | JIJDVLXBQGQRQM-UHFFFAOYSA-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 |
72202735
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
