| General Property |
| Molceule ID (DB) | EGIN0003333 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8p compound |
| IUPAC Name | (2E)-N-[4-({3-chloro-4-[(1R)-2,3-dihydro-1H-inden-1-yloxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C33H32ClN5O3 |
| Mass | 582.092 |
| Exact Mass | 581.2193676 |
| Composition | C (68.09%), H (5.54%), Cl (6.09%), N (12.03%), O (8.25%) |
| Atom Count | 74 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(O[C@H]2c3c(CC2)cccc3)cc1)Cl |
| InChI | 1S/C33H32ClN5O3/c1-4-41-31-18-27-25(17-28(31)38-32(40)10-7-15-39(2)3)33(22(19-35)20-36-27)37-23-12-1
4-30(26(34)16-23)42-29-13-11-21-8-5-6-9-24(21)29/h5-10,12,14,16-18,20,29H,4,11,13,15H2,1-3H3,(H,36,3
7)(H,38,40)/b10-7+/t29-/m1/s1 |
| InChIKey | JSFBWAVHVHBINF-BKUMGXLKSA-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 |
11421877
|
| Drug Bank Link | - |
| ChemSpider Link | 9596761 |
| ChEMBL Link | CHEMBL179274 |
