| General Property |
| Molceule ID (DB) | EGIN0005127 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2g |
| IUPAC Name | N‐[2‐(3‐butyl‐7‐{[2‐methoxy‐4‐(4‐methylpiperazin‐1‐yl)phenyl]amino}‐2‐oxo‐1H,2H,3H,4H‐pyrimido[4,5‐d][1,3]diazin‐1‐yl)ethyl]prop‐2‐enamide |
| Formula | C27H38N8O3 |
| Mass | 522.6424 |
| Exact Mass | 522.306687122 |
| Composition | C (62.05%), H (7.33%), N (21.44%), O (9.18%) |
| Atom Count | 76 |
| PI | 10.42 |
| Smiles | [H]C([H])=C([H])C(=O)N([H])C([H])([H])C([H])([H])N1C(=O)N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C2=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/C27H38N8O3/c1-5-7-11-34-19-20-18-29-26(31-25(20)35(27(34)37)12-10-28-24(36)6-2)30-22-9-8-21(17-23
(22)38-4)33-15-13-32(3)14-16-33/h6,8-9,17-18H,2,5,7,10-16,19H2,1,3-4H3,(H,28,36)(H,29,30,31) |
| InChIKey | KXRWGIHAVGHYOP-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 | 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
