| General Property |
| Molceule ID (DB) | EGIN0002349 |
| Inhibitor Class | Pyrrolo-pyridazine |
| Molecule Name in Refrence Article | 7e compound |
| IUPAC Name | 4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-methyl-N-[2-(morpholin-4-yl)ethyl]-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide |
| Formula | C26H28ClN7O3 |
| Mass | 521.999 |
| Exact Mass | 521.1942155 |
| Composition | C (59.82%), H (5.41%), Cl (6.79%), N (18.78%), O (9.2%) |
| Atom Count | 65 |
| PI | 7.97 |
| Smiles | c1nnc(c2c1[nH]c(c2C)C(=O)NCCN1CCOCC1)Nc1cc(c(cc1)OCc1ncccc1)Cl |
| InChI | 1S/C26H28ClN7O3/c1-17-23-21(32-24(17)26(35)29-8-9-34-10-12-36-13-11-34)15-30-33-25(23)31-18-5-6-22(2
0(27)14-18)37-16-19-4-2-3-7-28-19/h2-7,14-15,32H,8-13,16H2,1H3,(H,29,35)(H,31,33) |
| InChIKey | JROJOBDTYUBCFO-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 |
46879471
|
| Drug Bank Link | - |
| ChemSpider Link | 24673266 |
| ChEMBL Link | CHEMBL1080812 |
