| General Property |
| Molceule ID (DB) | EGIN0005202 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3y |
| IUPAC Name | Nâ€(4â€{2â€[(4â€methoxyphenyl)amino]â€6â€methylâ€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl}phenyl)propâ€2â€enamide |
| Formula | C23H20N6O3 |
| Mass | 428.4433 |
| Exact Mass | 428.159688536 |
| Composition | C (64.48%), H (4.71%), N (19.62%), O (11.2%) |
| Atom Count | 52 |
| PI | 6.9 |
| Smiles | [H]C([H])=C([H])C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)C(=NC2=C1N=C(N=C2[H])N([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])[H] |
| InChI | 1S/C23H20N6O3/c1-4-20(30)26-15-5-9-17(10-6-15)29-21-19(25-14(2)22(29)31)13-24-23(28-21)27-16-7-11-18
(32-3)12-8-16/h4-13H,1H2,2-3H3,(H,26,30)(H,24,27,28) |
| InChIKey | WZUJQAJDFCNKQS-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 |
72713386
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
