| General Property |
| Molceule ID (DB) | EGIN0003379 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7u compound |
| IUPAC Name | methyl (1S,2R)-1-[(2E)-3-[(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)carbamoyl]prop-2-en-1-yl]aziridine-2-carboxylate |
| Formula | C33H30ClN5O5 |
| Mass | 612.075 |
| Exact Mass | 611.1935468 |
| Composition | C (64.76%), H (4.94%), Cl (5.79%), N (11.44%), O (13.07%) |
| Atom Count | 74 |
| PI | 8.35 |
| Smiles | [C@H]1(N(C1)C/C=C/C(=O)Nc1cc2c(c(C#N)cnc2cc1OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl)C(=O)OC |
| InChI | 1S/C33H30ClN5O5/c1-3-43-30-16-26-24(15-27(30)38-31(40)10-7-13-39-19-28(39)33(41)42-2)32(22(17-35)18-
36-26)37-23-11-12-29(25(34)14-23)44-20-21-8-5-4-6-9-21/h4-12,14-16,18,28H,3,13,19-20H2,1-2H3,(H,36,3
7)(H,38,40)/b10-7+/t28-,39+/m1/s1 |
| InChIKey | UCDGCUOHOAAMOX-DJRLEIQISA-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 |
11238875
|
| Drug Bank Link | - |
| ChemSpider Link | 9413918 |
| ChEMBL Link | CHEMBL359660 |
