| General Property |
| Molceule ID (DB) | EGIN0005181 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3a |
| IUPAC Name | N‐(4‐{2‐[(4‐methoxyphenyl)amino]‐7‐oxo‐7,8‐dihydropteridin‐8‐yl}phenyl)prop‐2‐enamide |
| Formula | C22H18N6O3 |
| Mass | 414.4167 |
| Exact Mass | 414.144038472 |
| Composition | C (63.76%), H (4.38%), N (20.28%), O (11.58%) |
| Atom Count | 49 |
| PI | 6.91 |
| Smiles | [H]C([H])=C([H])C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)C([H])=NC2=C1N=C(N=C2[H])N([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H] |
| InChI | 1S/C22H18N6O3/c1-3-19(29)25-14-4-8-16(9-5-14)28-20(30)13-23-18-12-24-22(27-21(18)28)26-15-6-10-17(31
-2)11-7-15/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27) |
| InChIKey | BPENWXBDNSHEHD-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 |
72713172
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
