| General Property |
| Molceule ID (DB) | EGIN0003380 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 7v compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3-chlorophenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(1,4,7-trioxa-10-azacyclododecan-10-yl)but-2-enamide |
| Formula | C37H40ClN5O6 |
| Mass | 686.196 |
| Exact Mass | 685.2667117 |
| Composition | C (64.76%), H (5.88%), Cl (5.17%), N (10.21%), O (13.99%) |
| Atom Count | 89 |
| PI | 9.84 |
| Smiles | c12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN1CCOCCOCCOCC1)OCC)Nc1cc(c(OCc2ccccc2)cc1)Cl |
| InChI | 1S/C37H40ClN5O6/c1-2-48-35-23-32-30(22-33(35)42-36(44)9-6-12-43-13-15-45-17-19-47-20-18-46-16-14-43)
37(28(24-39)25-40-32)41-29-10-11-34(31(38)21-29)49-26-27-7-4-3-5-8-27/h3-11,21-23,25H,2,12-20,26H2,1
H3,(H,40,41)(H,42,44)/b9-6+ |
| InChIKey | HBFLTOMPSWKWMR-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 |
11422548
|
| Drug Bank Link | - |
| ChemSpider Link | 9597429 |
| ChEMBL Link | CHEMBL360211 |
