| General Property |
| Molceule ID (DB) | EGIN0005205 |
| Inhibitor Class | Pteridine |
| Molecule Name in Refrence Article | WZ4002 |
| IUPAC Name | 3â€[(5â€chloroâ€2â€{[2â€methoxyâ€4â€(piperazinâ€1â€yl)phenyl]amino}pyrimidinâ€4â€yl)oxy]phenyl propâ€2â€enoate |
| Formula | C24H24ClN5O4 |
| Mass | 481.931 |
| Exact Mass | 481.151681988 |
| Composition | C (59.81%), H (5.02%), Cl (7.36%), N (14.53%), O (13.28%) |
| Atom Count | 58 |
| PI | 10.96 |
| Smiles | [H]C([H])=C([H])C(=O)OC1=C([H])C([H])=C([H])C(OC2=C(Cl)C([H])=NC(=N2)N([H])C2=C(OC([H])([H])[H])C([H])=C(C([H])=C2[H])N2C([H])([H])C([H])([H])N([H])C([H])([H])C2([H])[H])=C1[H] |
| InChI | 1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-
3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) |
| InChIKey | ITTRLTNMFYIYPA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
