| General Property |
| Molceule ID (DB) | EGIN0003354 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 25r compound |
| IUPAC Name | (2E)-N-(4-{[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C32H29ClN6O3S |
| Mass | 613.129 |
| Exact Mass | 612.1710372 |
| Composition | C (62.69%), H (4.77%), Cl (5.78%), N (13.71%), O (7.83%), S (5.23%) |
| Atom Count | 72 |
| PI | 10.67 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2nc3c(s2)cccc3)cc1)Cl |
| InChI | 1S/C32H29ClN6O3S/c1-4-41-28-16-25-22(15-26(28)37-30(40)10-7-13-39(2)3)32(20(17-34)18-35-25)36-21-11-
12-27(23(33)14-21)42-19-31-38-24-8-5-6-9-29(24)43-31/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,35,36)(H,37,
40)/b10-7+ |
| InChIKey | AAAAZQPHATYWOK-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 |
11399331
|
| Drug Bank Link | - |
| ChemSpider Link | 9574231 |
| ChEMBL Link | CHEMBL175513 |
