| General Property |
| Molceule ID (DB) | EGIN0005182 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3b |
| IUPAC Name | Nâ€(3â€{2â€[(4â€methoxyphenyl)amino]â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl}phenyl)propâ€2â€enamide |
| Formula | C22H18N6O3 |
| Mass | 414.4167 |
| Exact Mass | 414.144038472 |
| Composition | C (63.76%), H (4.38%), N (20.28%), O (11.58%) |
| Atom Count | 49 |
| PI | 6.88 |
| 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(OC([H])([H])[H])C([H])=C1[H] |
| InChI | 1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h
2-11H,20H2,1H3,(H,22,23,24) |
| InChIKey | HJHJLSAFDLUSPN-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 |
72712977
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
