| General Property |
| Molceule ID (DB) | EGIN0002346 |
| Inhibitor Class | Pyrrolo-pyridazine |
| Molecule Name in Refrence Article | 7b compound |
| IUPAC Name | 4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-3-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide |
| Formula | C29H33ClFN7O2 |
| Mass | 566.069 |
| Exact Mass | 565.2368292 |
| Composition | C (61.53%), H (5.88%), Cl (6.26%), F (3.36%), N (17.32%), O (5.65%) |
| Atom Count | 73 |
| PI | 9.13 |
| Smiles | c1nnc(c2c1[nH]c(c2C)C(=O)NCCCN1CCN(CC1)C)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl |
| InChI | 1S/C29H33ClFN7O2/c1-19-26-24(35-27(19)29(39)32-9-4-10-38-13-11-37(2)12-14-38)17-33-36-28(26)34-22-7-
8-25(23(30)16-22)40-18-20-5-3-6-21(31)15-20/h3,5-8,15-17,35H,4,9-14,18H2,1-2H3,(H,32,39)(H,34,36) |
| InChIKey | LREJPDVGVCQBEA-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 |
24782622
|
| Drug Bank Link | - |
| ChemSpider Link | 24662460 |
| ChEMBL Link | CHEMBL1081849 |
