| General Property |
| Molceule ID (DB) | EGIN0005191 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3n |
| IUPAC Name | N‐[4‐(2‐{[4‐(morpholin‐4‐yl)phenyl]amino}‐7‐oxo‐7,8‐dihydropteridin‐8‐yl)phenyl]prop‐2‐enamide |
| Formula | C25H23N7O3 |
| Mass | 469.4952 |
| Exact Mass | 469.186237637 |
| Composition | C (63.96%), H (4.94%), N (20.88%), O (10.22%) |
| Atom Count | 58 |
| PI | 8.19 |
| 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])OC([H])([H])C1([H])[H] |
| InChI | 1S/C25H23N7O3/c1-2-22(33)28-17-5-9-20(10-6-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-3-7-19(8-
4-18)31-11-13-35-14-12-31/h2-10,15-16H,1,11-14H2,(H,28,33)(H,27,29,30) |
| InChIKey | CHFSRPYBDAIBQR-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 |
72713176
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
