| General Property |
| Molceule ID (DB) | EGIN0001895 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | (2E)-N-(4-{[4-(benzyloxy)-3,6-dioxocyclohexa-1,4-dien-1-yl]amino}-7-ethoxyquinazolin-6-yl)-4-(dimethylamino)but-2-enamide |
| Formula | C29H29N5O5 |
| Mass | 527.5711 |
| Exact Mass | 527.2168691 |
| Composition | C (66.02%), H (5.54%), N (13.27%), O (15.16%) |
| Atom Count | 68 |
| PI | 9.37 |
| Smiles | c1(c(cc2c(c1)c(ncn2)NC1=CC(=O)C(=CC1=O)OCc1ccccc1)OCC)NC(=O)/C=C/CN(C)C |
| InChI | 1S/C29H29N5O5/c1-4-38-26-15-21-20(13-23(26)32-28(37)11-8-12-34(2)3)29(31-18-30-21)33-22-14-25(36)27(
16-24(22)35)39-17-19-9-6-5-7-10-19/h5-11,13-16,18H,4,12,17H2,1-3H3,(H,32,37)(H,30,31,33)/b11-8+ |
| InChIKey | OZJNFEMRGXMBKA-DHZHZOJOSA-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 |
44428890
|
| Drug Bank Link | - |
| ChemSpider Link | 23290741 |
| ChEMBL Link | CHEMBL243629 |
