| General Property |
| Molceule ID (DB) | EGIN0005201 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | 3x |
| IUPAC Name | N‐[3‐(2‐{[2‐methoxy‐4‐(4‐methylpiperazin‐1‐yl)phenyl]amino}‐7‐oxo‐7,8‐dihydropteridin‐8‐yl)phenyl]prop‐2‐enamide |
| Formula | C27H28N8O3 |
| Mass | 512.563 |
| Exact Mass | 512.228436802 |
| Composition | C (63.27%), H (5.51%), N (21.86%), O (9.36%) |
| Atom Count | 66 |
| PI | 10.45 |
| 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(C([H])=C1OC([H])([H])[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H] |
| InChI | 1S/C27H28N8O3/c1-4-24(36)30-18-6-5-7-20(14-18)35-25(37)17-28-22-16-29-27(32-26(22)35)31-21-9-8-19(15
-23(21)38-3)34-12-10-33(2)11-13-34/h4-9,14-17H,1,10-13H2,2-3H3,(H,30,36)(H,29,31,32) |
| InChIKey | YJAJTLZIWHYGPF-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 |
72202732
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
