| General Property |
| Molceule ID (DB) | EGIN0002351 |
| Inhibitor Class | Pyrrolo-pyridazine |
| Molecule Name in Refrence Article | 18a compound |
| IUPAC Name | 7-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-N-[2-(diethylamino)ethyl]-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide |
| Formula | C26H28ClFN6O2 |
| Mass | 510.991 |
| Exact Mass | 510.1946301 |
| Composition | C (61.11%), H (5.52%), Cl (6.94%), F (3.72%), N (16.45%), O (6.26%) |
| Atom Count | 64 |
| PI | 9.44 |
| Smiles | c1nnc(Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)c2c1cc([nH]2)C(=O)NCCN(CC)CC |
| InChI | 1S/C26H28ClFN6O2/c1-3-34(4-2)11-10-29-26(35)22-13-18-15-30-33-25(24(18)32-22)31-20-8-9-23(21(27)14-2
0)36-16-17-6-5-7-19(28)12-17/h5-9,12-15,32H,3-4,10-11,16H2,1-2H3,(H,29,35)(H,31,33) |
| InChIKey | QDGJXOSRDOUWFQ-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 |
46879473
|
| Drug Bank Link | - |
| ChemSpider Link | 24675857 |
| ChEMBL Link | CHEMBL1080271 |
