| General Property |
| Molceule ID (DB) | EGIN0002348 |
| Inhibitor Class | Pyrrolo-pyridazine |
| Molecule Name in Refrence Article | 7d compound |
| IUPAC Name | 4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-3-methyl-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide |
| Formula | C27H28ClFN6O3 |
| Mass | 539.001 |
| Exact Mass | 538.1895447 |
| Composition | C (60.16%), H (5.24%), Cl (6.58%), F (3.52%), N (15.59%), O (8.91%) |
| Atom Count | 66 |
| PI | 7.97 |
| Smiles | c1nnc(c2c1[nH]c(c2C)C(=O)NCCN1CCOCC1)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl |
| InChI | 1S/C27H28ClFN6O3/c1-17-24-22(33-25(17)27(36)30-7-8-35-9-11-37-12-10-35)15-31-34-26(24)32-20-5-6-23(2
1(28)14-20)38-16-18-3-2-4-19(29)13-18/h2-6,13-15,33H,7-12,16H2,1H3,(H,30,36)(H,32,34) |
| InChIKey | CDDJNPZYBJNIRP-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 |
24782374
|
| Drug Bank Link | - |
| ChemSpider Link | 24675558 |
| ChEMBL Link | CHEMBL1080506 |
