| General Property |
| Molceule ID (DB) | EGIN0003383 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 75 compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-3-(quinolin-8-yl)prop-2-enamide |
| Formula | C37H28ClN5O3 |
| Mass | 626.103 |
| Exact Mass | 625.1880675 |
| Composition | C (70.98%), H (4.51%), Cl (5.66%), N (11.19%), O (7.67%) |
| Atom Count | 74 |
| PI | 8.51 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/c1c2ncccc2ccc1)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C37H28ClN5O3/c1-2-45-34-20-31-29(19-32(34)43-35(44)16-13-26-11-6-10-25-12-7-17-40-36(25)26)37(27(
21-39)22-41-31)42-28-14-15-33(30(38)18-28)46-23-24-8-4-3-5-9-24/h3-20,22H,2,23H2,1H3,(H,41,42)(H,43,
44)/b16-13+ |
| InChIKey | VJBGCGWDTBHXQK-DTQAZKPQSA-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 |
11456360
|
| Drug Bank Link | - |
| ChemSpider Link | 9631208 |
| ChEMBL Link | CHEMBL367792 |
