| General Property |
| Molceule ID (DB) | EGIN0003389 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 85 compound |
| IUPAC Name | 2-{[(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)amino]methyl}prop-2-enoic acid |
| Formula | C29H25ClN4O4 |
| Mass | 528.986 |
| Exact Mass | 528.156433 |
| Composition | C (65.84%), H (4.76%), Cl (6.7%), N (10.59%), O (12.1%) |
| Atom Count | 63 |
| PI | 4.22 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NCC(=C)C(=O)O)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C29H25ClN4O4/c1-3-37-27-13-24-22(12-25(27)32-15-18(2)29(35)36)28(20(14-31)16-33-24)34-21-9-10-26(
23(30)11-21)38-17-19-7-5-4-6-8-19/h4-13,16,32H,2-3,15,17H2,1H3,(H,33,34)(H,35,36) |
| InChIKey | HEWAOSRCHKDFBK-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 | 15715478 |
| 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 |
11249521
|
| Drug Bank Link | - |
| ChemSpider Link | 9424554 |
| ChEMBL Link | CHEMBL367754 |
