| General Property |
| Molceule ID (DB) | EGIN0002345 |
| Inhibitor Class | Pyrrolo-pyridazine |
| Molecule Name in Refrence Article | 7a compound |
| IUPAC Name | 4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-N-[2-(diethylamino)ethyl]-3-methyl-1H-pyrrolo[2,3-d]pyridazine-2-carboxamide |
| Formula | C27H30ClFN6O2 |
| Mass | 525.018 |
| Exact Mass | 524.2102801 |
| Composition | C (61.77%), H (5.76%), Cl (6.75%), F (3.62%), N (16.01%), O (6.09%) |
| Atom Count | 67 |
| PI | 9.37 |
| Smiles | c1nnc(c2c1[nH]c(c2C)C(=O)NCCN(CC)CC)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl |
| InChI | 1S/C27H30ClFN6O2/c1-4-35(5-2)12-11-30-27(36)25-17(3)24-22(33-25)15-31-34-26(24)32-20-9-10-23(21(28)1
4-20)37-16-18-7-6-8-19(29)13-18/h6-10,13-15,33H,4-5,11-12,16H2,1-3H3,(H,30,36)(H,32,34) |
| InChIKey | PBDWKKSYCSLCRJ-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 |
24786207
|
| Drug Bank Link | - |
| ChemSpider Link | 24663862 |
| ChEMBL Link | CHEMBL1087368 |
