| General Property |
| Molceule ID (DB) | EGIN0005196 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3s |
| IUPAC Name | Nâ€[3â€(7â€oxoâ€2â€{[4â€(pyrrolidinâ€1â€yl)phenyl]amino}â€7,8â€dihydropteridinâ€8â€yl)phenyl]propâ€2â€enamide |
| Formula | C25H23N7O2 |
| Mass | 453.4958 |
| Exact Mass | 453.191323015 |
| Composition | C (66.21%), H (5.11%), N (21.62%), O (7.06%) |
| Atom Count | 57 |
| PI | 10 |
| 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(C([H])=C1[H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H] |
| InChI | 1S/C25H23N7O2/c1-2-22(33)28-18-6-5-7-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-8-10-19(1
1-9-17)31-12-3-4-13-31/h2,5-11,14-16H,1,3-4,12-13H2,(H,28,33)(H,27,29,30) |
| InChIKey | HKNZEEWNPHTWIR-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 |
72202867
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
