| General Property |
| Molceule ID (DB) | EGIN0003355 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25s compound |
| IUPAC Name | (2E)-N-(4-{[3-chloro-4-(quinolin-4-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C34H31ClN6O3 |
| Mass | 607.101 |
| Exact Mass | 606.2146166 |
| Composition | C (67.26%), H (5.15%), Cl (5.84%), N (13.84%), O (7.91%) |
| Atom Count | 75 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2c3c(ncc2)cccc3)cc1)Cl |
| InChI | 1S/C34H31ClN6O3/c1-4-43-32-18-29-26(17-30(32)40-33(42)10-7-15-41(2)3)34(23(19-36)20-38-29)39-24-11-1
2-31(27(35)16-24)44-21-22-13-14-37-28-9-6-5-8-25(22)28/h5-14,16-18,20H,4,15,21H2,1-3H3,(H,38,39)(H,4
0,42)/b10-7+ |
| InChIKey | SEBXYMBDVHCYBM-JXMROGBWSA-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 |
11296411
|
| Drug Bank Link | - |
| ChemSpider Link | 9471396 |
| ChEMBL Link | CHEMBL175621 |
