| General Property |
| Molceule ID (DB) | EGIN0001893 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | (2E)-4-(dimethylamino)-N-[7-ethoxy-4-({4-[(3-fluorophenyl)methoxy]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)quinazolin-6-yl]but-2-enamide |
| Formula | C29H28FN5O5 |
| Mass | 545.5615 |
| Exact Mass | 545.2074472 |
| Composition | C (63.84%), H (5.17%), F (3.48%), N (12.84%), O (14.66%) |
| Atom Count | 68 |
| PI | 9.37 |
| Smiles | c1(c(cc2c(c1)c(ncn2)NC1=CC(=O)C(=CC1=O)OCc1cc(ccc1)F)OCC)NC(=O)/C=C/CN(C)C |
| InChI | 1S/C29H28FN5O5/c1-4-39-26-14-21-20(12-23(26)33-28(38)9-6-10-35(2)3)29(32-17-31-21)34-22-13-25(37)27(
15-24(22)36)40-16-18-7-5-8-19(30)11-18/h5-9,11-15,17H,4,10,16H2,1-3H3,(H,33,38)(H,31,32,34)/b9-6+ |
| InChIKey | XRLIPUSFUDXFGS-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 | 17416531 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | VEGFR2 | VEGFR2 | ALL |
| Pub Chem Link |
44428888
|
| Drug Bank Link | - |
| ChemSpider Link | 23290739 |
| ChEMBL Link | CHEMBL428741 |
