| General Property |
| Molceule ID (DB) | EGIN0003361 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 32 compound |
| IUPAC Name | (2E)-N-[4-({3-chloro-4-[(naphthalen-1-ylmethyl)amino]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C35H33ClN6O2 |
| Mass | 605.129 |
| Exact Mass | 604.235352 |
| Composition | C (69.47%), H (5.5%), Cl (5.86%), N (13.89%), O (5.29%) |
| Atom Count | 77 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(NCc2c3c(ccc2)cccc3)cc1)Cl |
| InChI | 1S/C35H33ClN6O2/c1-4-44-33-19-31-28(18-32(33)41-34(43)13-8-16-42(2)3)35(25(20-37)22-39-31)40-26-14-1
5-30(29(36)17-26)38-21-24-11-7-10-23-9-5-6-12-27(23)24/h5-15,17-19,22,38H,4,16,21H2,1-3H3,(H,39,40)(
H,41,43)/b13-8+ |
| InChIKey | IMDOIOFYKKBZEN-MDWZMJQESA-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 |
11284905
|
| Drug Bank Link | - |
| ChemSpider Link | 9459898 |
| ChEMBL Link | CHEMBL179766 |
