| General Property |
| Molceule ID (DB) | EGIN0005128 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2h |
| IUPAC Name | 7‐{[2‐methoxy‐4‐(4‐methylpiperazin‐1‐yl)phenyl]amino}‐3‐methyl‐1‐[(3S)‐1‐(prop‐2‐enoyl)pyrrolidin‐3‐yl]‐1H,2H,3H,4H‐pyrimido[4,5‐d][1,3]diazin‐2‐one |
| Formula | C26H34N8O3 |
| Mass | 506.6 |
| Exact Mass | 506.275386994 |
| Composition | C (61.64%), H (6.76%), N (22.12%), O (9.47%) |
| Atom Count | 71 |
| PI | 10.43 |
| Smiles | [H]C([H])=C([H])C(=O)N1C([H])([H])C([H])([H])[C@]([H])(N2C(=O)N(C([H])([H])[H])C([H])([H])C3=C2N=C(N=C3[H])N([H])C2=C([H])C([H])=C(C([H])=C2OC([H])([H])[H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C1([H])[H] |
| InChI | 1S/C26H34N8O3/c1-5-23(35)33-9-8-20(17-33)34-24-18(16-31(3)26(34)36)15-27-25(29-24)28-21-7-6-19(14-22
(21)37-4)32-12-10-30(2)11-13-32/h5-7,14-15,20H,1,8-13,16-17H2,2-4H3,(H,27,28,29)/t20-/m0/s1 |
| InChIKey | WPKFTRYAFVFPIH-FQEVSTJZSA-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 | 24124898 |
| 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 |
72712711
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
