| General Property |
| Molceule ID (DB) | EGIN0005188 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3k |
| IUPAC Name | Nâ€{3â€[7â€oxoâ€2â€(phenylamino)â€7,8â€dihydropteridinâ€8â€yl]phenyl}propâ€2â€enamide |
| Formula | C21H16N6O2 |
| Mass | 384.3907 |
| Exact Mass | 384.133473786 |
| Composition | C (65.62%), H (4.2%), N (21.86%), O (8.32%) |
| Atom Count | 45 |
| PI | 6.67 |
| 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([H])C([H])=C1[H] |
| InChI | 1S/C21H16N6O2/c1-2-18(28)24-15-9-6-10-16(11-15)27-19(29)13-22-17-12-23-21(26-20(17)27)25-14-7-4-3-5-
8-14/h2-13H,1H2,(H,24,28)(H,23,25,26) |
| InChIKey | CMZKQVFPFYPHOD-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 |
72202999
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
