| General Property |
| Molceule ID (DB) | EGIN0003347 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25k compound |
| IUPAC Name | (2E)-N-[4-({3-chloro-4-[(3-cyanophenyl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C32H29ClN6O3 |
| Mass | 581.064 |
| Exact Mass | 580.1989665 |
| Composition | C (66.14%), H (5.03%), Cl (6.1%), N (14.46%), O (8.26%) |
| Atom Count | 71 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2cc(C#N)ccc2)cc1)Cl |
| InChI | 1S/C32H29ClN6O3/c1-4-41-30-16-27-25(15-28(30)38-31(40)9-6-12-39(2)3)32(23(18-35)19-36-27)37-24-10-11
-29(26(33)14-24)42-20-22-8-5-7-21(13-22)17-34/h5-11,13-16,19H,4,12,20H2,1-3H3,(H,36,37)(H,38,40)/b9-
6+ |
| InChIKey | DXPKZKIRPDLRJZ-RMKNXTFCSA-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 |
11296170
|
| Drug Bank Link | - |
| ChemSpider Link | 9471155 |
| ChEMBL Link | CHEMBL179527 |
