| General Property |
| Molceule ID (DB) | EGIN0005189 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3l |
| IUPAC Name | Nâ€(4â€{2â€[(4â€chlorophenyl)amino]â€7â€oxoâ€7,8â€dihydropteridinâ€8â€yl}phenyl)propâ€2â€enamide |
| Formula | C21H15ClN6O2 |
| Mass | 418.836 |
| Exact Mass | 418.094501461 |
| Composition | C (60.22%), H (3.61%), Cl (8.46%), N (20.07%), O (7.64%) |
| Atom Count | 45 |
| PI | 6.57 |
| 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(Cl)C([H])=C1[H] |
| InChI | 1S/C21H15ClN6O2/c1-2-18(29)25-14-7-9-16(10-8-14)28-19(30)12-23-17-11-24-21(27-20(17)28)26-15-5-3-13(
22)4-6-15/h2-12H,1H2,(H,25,29)(H,24,26,27) |
| InChIKey | YQVNLEYHEXIBNV-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 |
72713175
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
