| General Property |
| Molceule ID (DB) | EGIN0003955 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | N-(4-chloro-2,6-difluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine |
| Formula | C22H23ClF2N4O2 |
| Mass | 448.893 |
| Exact Mass | 448.1477601 |
| Composition | C (58.86%), H (5.16%), Cl (7.9%), F (8.46%), N (12.48%), O (7.13%) |
| Atom Count | 54 |
| PI | 10.24 |
| Smiles | c12c(Nc3c(cc(cc3F)Cl)F)ncnc1cc(c(c2)OC)OCC1CCN(CC1)C |
| InChI | 1S/C22H23ClF2N4O2/c1-29-5-3-13(4-6-29)11-31-20-10-18-15(9-19(20)30-2)22(27-12-26-18)28-21-16(24)7-14
(23)8-17(21)25/h7-10,12-13H,3-6,11H2,1-2H3,(H,26,27,28) |
| InChIKey | KQEHWOWUWGAOSR-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 | FGFR | KDR | Flt1 | ALL |
| Pub Chem Link |
5329045
|
| Drug Bank Link | - |
| ChemSpider Link | 4486207 |
| ChEMBL Link | CHEMBL422758 |
