| General Property |
| Molceule ID (DB) | EGIN0004913 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | AST1306 |
| IUPAC Name | N-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]prop-2-enamide |
| Formula | C24H18ClFN4O2 |
| Mass | 448.877 |
| Exact Mass | 448.1102318 |
| Composition | C (64.22%), H (4.04%), Cl (7.9%), F (4.23%), N (12.48%), O (7.13%) |
| Atom Count | 50 |
| PI | 9.19 |
| Smiles | c12cc(ccc1ncnc2Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)NC(=O)C=C |
| InChI | 1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4
-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30) |
| InChIKey | MVZGYPSXNDCANY-UHFFFAOYSA-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 | 21789172 | 22227214 | |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Flt-1 | KDR | PDGFRa | PDGFRb | c-Src | c-Met | c-Kit | IGF1R | FGFR1 | RON | Abl | EphA2 | EphB2 | Tie2 | SYK | PKCb2 | p70S6K | JAK2 | Pim2 | AKT1 | AUR A | CDK2 | GSK3b | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 25027184 |
| ChEMBL Link | CHEMBL1947204 |
