| General Property |
| Molceule ID (DB) | EGIN0003317 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 8f compound |
| IUPAC Name | (2E)-N-[4-({3-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenyl}amino)-3-cyano-7-methoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide |
| Formula | C33H29ClN6O2S |
| Mass | 609.14 |
| Exact Mass | 608.1761226 |
| Composition | C (65.07%), H (4.8%), Cl (5.82%), N (13.8%), O (5.25%), S (5.26%) |
| Atom Count | 72 |
| PI | 10.68 |
| Smiles | n1c(csc1Cc1c(cc(Nc2c3c(ncc2C#N)cc(c(c3)NC(=O)/C=C/CN(C)C)OC)cc1)Cl)c1ccccc1 |
| InChI | 1S/C33H29ClN6O2S/c1-40(2)13-7-10-31(41)38-28-16-25-27(17-30(28)42-3)36-19-23(18-35)33(25)37-24-12-11
-22(26(34)15-24)14-32-39-29(20-43-32)21-8-5-4-6-9-21/h4-12,15-17,19-20H,13-14H2,1-3H3,(H,36,37)(H,38
,41)/b10-7+ |
| InChIKey | CJOFPUIXYQYKPH-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 |
11399310
|
| Drug Bank Link | - |
| ChemSpider Link | 9574210 |
| ChEMBL Link | CHEMBL360979 |
