| General Property |
| Molceule ID (DB) | EGIN0005193 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3p |
| IUPAC Name | N‐[4‐(2‐{[4‐(4‐methylpiperazin‐1‐yl)phenyl]amino}‐7‐oxo‐7,8‐dihydropteridin‐8‐yl)phenyl]prop‐2‐enamide |
| Formula | C26H26N8O2 |
| Mass | 482.537 |
| Exact Mass | 482.217872116 |
| Composition | C (64.72%), H (5.43%), N (23.22%), O (6.63%) |
| Atom Count | 62 |
| PI | 11.04 |
| 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(C([H])=C1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H] |
| InChI | 1S/C26H26N8O2/c1-3-23(35)29-18-6-10-21(11-7-18)34-24(36)17-27-22-16-28-26(31-25(22)34)30-19-4-8-20(9
-5-19)33-14-12-32(2)13-15-33/h3-11,16-17H,1,12-15H2,2H3,(H,29,35)(H,28,30,31) |
| InChIKey | DRGNKFXIAXKCCX-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 |
72203004
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
