| General Property |
| Molceule ID (DB) | EGIN0002347 |
| Inhibitor Class | Pyrrolo-pyridazine |
| Molecule Name in Refrence Article | 7c compound |
| IUPAC Name | 4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide |
| Formula | C28H31ClFN7O2 |
| Mass | 552.043 |
| Exact Mass | 551.2211792 |
| Composition | C (60.92%), H (5.66%), Cl (6.42%), F (3.44%), N (17.76%), O (5.8%) |
| Atom Count | 70 |
| PI | 8.97 |
| Smiles | c1nnc(c2c1[nH]c(c2C)C(=O)NCCN1CCN(CC1)C)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl |
| InChI | 1S/C28H31ClFN7O2/c1-18-25-23(34-26(18)28(38)31-8-9-37-12-10-36(2)11-13-37)16-32-35-27(25)33-21-6-7-2
4(22(29)15-21)39-17-19-4-3-5-20(30)14-19/h3-7,14-16,34H,8-13,17H2,1-2H3,(H,31,38)(H,33,35) |
| InChIKey | QXWHKOZXCRDBND-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 |
24782621
|
| Drug Bank Link | - |
| ChemSpider Link | 24661287 |
| ChEMBL Link | CHEMBL1082012 |
