| General Property |
| Molceule ID (DB) | EGIN0003364 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 38 compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-{[(phenylamino)methyl]amino}phenyl)amino]-3-cyano-7-methoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide |
| Formula | C30H30ClN7O2 |
| Mass | 556.058 |
| Exact Mass | 555.2149509 |
| Composition | C (64.8%), H (5.44%), Cl (6.38%), N (17.63%), O (5.75%) |
| Atom Count | 70 |
| PI | 10.68 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OC)Nc1cc(c(NCNc2ccccc2)cc1)Cl |
| InChI | 1S/C30H30ClN7O2/c1-38(2)13-7-10-29(39)37-27-15-23-26(16-28(27)40-3)33-18-20(17-32)30(23)36-22-11-12-
25(24(31)14-22)35-19-34-21-8-5-4-6-9-21/h4-12,14-16,18,34-35H,13,19H2,1-3H3,(H,33,36)(H,37,39)/b10-7
+ |
| InChIKey | ZVJKJOPDVJJONM-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 23244488 |
| ChEMBL Link | CHEMBL178096 |
