| General Property |
| Molceule ID (DB) | EGIN0002350 |
| Inhibitor Class | Pyrrolo-pyridazine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | ethyl 4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-7-methyl-6H-pyrrolo[3,4-d]pyridazine-5-carboxylate |
| Formula | C23H20ClFN4O3 |
| Mass | 454.881 |
| Exact Mass | 454.1207964 |
| Composition | C (60.73%), H (4.43%), Cl (7.79%), F (4.18%), N (12.32%), O (10.55%) |
| Atom Count | 52 |
| PI | 6.41 |
| Smiles | c1nnc(c2c1c([nH]c2C(=O)OCC)C)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl |
| InChI | 1S/C23H20ClFN4O3/c1-3-31-23(30)21-20-17(13(2)27-21)11-26-29-22(20)28-16-7-8-19(18(24)10-16)32-12-14-
5-4-6-15(25)9-14/h4-11,27H,3,12H2,1-2H3,(H,28,29) |
| InChIKey | NURBYSCFSBBMLZ-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 | 19815412 |
| 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 |
46879472
|
| Drug Bank Link | - |
| ChemSpider Link | 24661002 |
| ChEMBL Link | CHEMBL1080990 |
