| General Property |
| Molceule ID (DB) | EGIN0005183 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3e |
| IUPAC Name | 4â€{2â€[(4â€methoxyphenyl)amino]â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl}phenyl propâ€2â€enoate |
| Formula | C22H17N5O4 |
| Mass | 415.4015 |
| Exact Mass | 415.128054057 |
| Composition | C (63.61%), H (4.12%), N (16.86%), O (15.41%) |
| Atom Count | 48 |
| PI | 6.96 |
| Smiles | [H]C([H])=C([H])C(=O)OC1=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(OC([H])([H])[H])C([H])=C1[H] |
| InChI | 1S/C22H17N5O4/c1-3-20(29)31-17-10-6-15(7-11-17)27-19(28)13-23-18-12-24-22(26-21(18)27)25-14-4-8-16(3
0-2)9-5-14/h3-13H,1H2,2H3,(H,24,25,26) |
| InChIKey | UFEYPVTVHUTYJF-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 |
72203001
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
