| General Property |
| Molceule ID (DB) | EGIN0003369 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7k compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-{bis[(2R)-2-hydroxypropyl]amino}but-2-enamide |
| Formula | C35H38ClN5O5 |
| Mass | 644.16 |
| Exact Mass | 643.2561471 |
| Composition | C (65.26%), H (5.95%), Cl (5.5%), N (10.87%), O (12.42%) |
| Atom Count | 84 |
| PI | 10.64 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C[C@H](O)C)C[C@H](O)C)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C35H38ClN5O5/c1-4-45-33-17-30-28(16-31(33)40-34(44)11-8-14-41(20-23(2)42)21-24(3)43)35(26(18-37)1
9-38-30)39-27-12-13-32(29(36)15-27)46-22-25-9-6-5-7-10-25/h5-13,15-17,19,23-24,42-43H,4,14,20-22H2,1
-3H3,(H,38,39)(H,40,44)/b11-8+/t23-,24-/m1/s1 |
| InChIKey | BCVLPPYKGAHAMX-FRGWSYCMSA-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 |
11422340
|
| Drug Bank Link | - |
| ChemSpider Link | 9597222 |
| ChEMBL Link | CHEMBL369088 |
