| General Property |
| Molceule ID (DB) | EGIN0005185 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3g |
| IUPAC Name | (2E)â€4â€(dimethylamino)â€Nâ€(3â€{2â€[(4â€methoxyphenyl)amino]â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl}phenyl)butâ€2â€enamide |
| Formula | C25H25N7O3 |
| Mass | 471.5111 |
| Exact Mass | 471.201887701 |
| Composition | C (63.68%), H (5.34%), N (20.79%), O (10.18%) |
| Atom Count | 60 |
| PI | 11.12 |
| 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(OC([H])([H])[H])C([H])=C1[H] |
| InChI | 1S/C25H25N7O3/c1-31(2)13-5-8-22(33)28-18-6-4-7-19(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17
-9-11-20(35-3)12-10-17/h4-12,14-16H,13H2,1-3H3,(H,28,33)(H,27,29,30)/b8-5+ |
| InChIKey | SJMNSZVROFACMM-VMPITWQZSA-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 |
72203136
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
