| General Property |
| Molceule ID (DB) | EGIN0003362 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 36 compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzylamino)-3-chlorophenyl]amino}-3-cyano-7-methoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C30H29ClN6O2 |
| Mass | 541.043 |
| Exact Mass | 540.2040519 |
| Composition | C (66.6%), H (5.4%), Cl (6.55%), N (15.53%), O (5.91%) |
| Atom Count | 68 |
| PI | 10.68 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OC)Nc1cc(c(NCc2ccccc2)cc1)Cl |
| InChI | 1S/C30H29ClN6O2/c1-37(2)13-7-10-29(38)36-27-15-23-26(16-28(27)39-3)34-19-21(17-32)30(23)35-22-11-12-
25(24(31)14-22)33-18-20-8-5-4-6-9-20/h4-12,14-16,19,33H,13,18H2,1-3H3,(H,34,35)(H,36,38)/b10-7+ |
| InChIKey | XGESIFJYTSFXBI-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 23244498 |
| ChEMBL Link | CHEMBL179521 |
