| General Property |
| Molceule ID (DB) | EGIN0005190 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3m |
| IUPAC Name | N‐(3‐{2‐[(4‐chlorophenyl)amino]‐7‐oxo‐7,8‐dihydropteridin‐8‐yl}phenyl)prop‐2‐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 | 6.56 |
| 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(Cl)C([H])=C1[H] |
| InChI | 1S/C21H15ClN6O2/c1-2-18(29)25-15-4-3-5-16(10-15)28-19(30)12-23-17-11-24-21(27-20(17)28)26-14-8-6-13(
22)7-9-14/h2-12H,1H2,(H,25,29)(H,24,26,27) |
| InChIKey | NPYHVKHWRDSLAV-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 |
72202870
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
