| General Property |
| Molceule ID (DB) | EGIN0002352 |
| Inhibitor Class | Pyrrolo-pyridazine |
| Molecule Name in Refrence Article | 18b compound |
| IUPAC Name | 7-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-N-[2-(pyrrolidin-1-yl)ethyl]-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide |
| Formula | C26H26ClFN6O2 |
| Mass | 508.975 |
| Exact Mass | 508.17898 |
| Composition | C (61.35%), H (5.15%), Cl (6.97%), F (3.73%), N (16.51%), O (6.29%) |
| Atom Count | 62 |
| PI | 9.09 |
| Smiles | c1nnc(Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)c2c1cc([nH]2)C(=O)NCCN1CCCC1 |
| InChI | 1S/C26H26ClFN6O2/c27-21-14-20(6-7-23(21)36-16-17-4-3-5-19(28)12-17)31-25-24-18(15-30-33-25)13-22(32-
24)26(35)29-8-11-34-9-1-2-10-34/h3-7,12-15,32H,1-2,8-11,16H2,(H,29,35)(H,31,33) |
| InChIKey | SJCQYTOHJMCKJL-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 |
46879474
|
| Drug Bank Link | - |
| ChemSpider Link | 24660716 |
| ChEMBL Link | CHEMBL1080272 |
