| General Property |
| Molceule ID (DB) | EGIN0005133 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2m |
| IUPAC Name | 3‐phenyl‐7‐(phenylamino)‐1‐[(3S)‐1‐(prop‐2‐enoyl)pyrrolidin‐3‐yl]‐1H,2H,3H,4H‐pyrimido[4,5‐d][1,3]diazin‐2‐one |
| Formula | C25H24N6O2 |
| Mass | 440.4971 |
| Exact Mass | 440.196074042 |
| Composition | C (68.17%), H (5.49%), N (19.08%), O (7.26%) |
| Atom Count | 57 |
| PI | 7.17 |
| Smiles | [H]C([H])=C([H])C(=O)N1C([H])([H])C([H])([H])[C@]([H])(N2C(=O)N(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C3=C2N=C(N=C3[H])N([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C1([H])[H] |
| InChI | 1S/C25H24N6O2/c1-2-22(32)29-14-13-21(17-29)31-23-18(16-30(25(31)33)20-11-7-4-8-12-20)15-26-24(28-23)
27-19-9-5-3-6-10-19/h2-12,15,21H,1,13-14,16-17H2,(H,26,27,28)/t21-/m0/s1 |
| InChIKey | JKMKVANXOAOXAM-NRFANRHFSA-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 |
72712888
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
