| General Property |
| Molceule ID (DB) | EGIN0003953 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | 2-chloro-4-fluoro-5-({6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl}amino)phenol |
| Formula | C22H24ClFN4O3 |
| Mass | 446.902 |
| Exact Mass | 446.1520966 |
| Composition | C (59.13%), H (5.41%), Cl (7.93%), F (4.25%), N (12.54%), O (10.74%) |
| Atom Count | 55 |
| PI | 8.44 |
| Smiles | c12c(Nc3cc(c(cc3F)Cl)O)ncnc1cc(c(c2)OC)OCC1CCN(CC1)C |
| InChI | 1S/C22H24ClFN4O3/c1-28-5-3-13(4-6-28)11-31-21-10-17-14(7-20(21)30-2)22(26-12-25-17)27-18-9-19(29)15(
23)8-16(18)24/h7-10,12-13,29H,3-6,11H2,1-2H3,(H,25,26,27) |
| InChIKey | HCAUEIOBSYOQPN-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 | 11881999 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Flt1 | KDR | FGFR | ALL |
| Pub Chem Link |
5329043
|
| Drug Bank Link | - |
| ChemSpider Link | 4486205 |
| ChEMBL Link | CHEMBL24409 |
