| General Property |
| Molceule ID (DB) | EGIN0003941 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 4 compound |
| IUPAC Name | N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine |
| Formula | C23H27ClFN5O2 |
| Mass | 459.944 |
| Exact Mass | 459.183731 |
| Composition | C (60.06%), H (5.92%), Cl (7.71%), F (4.13%), N (15.23%), O (6.96%) |
| Atom Count | 59 |
| PI | 10.98 |
| Smiles | c12c(Nc3c(cc(cc3)Cl)F)ncnc1cc(c(c2)OC)OCCCN1CCN(CC1)C |
| InChI | 1S/C23H27ClFN5O2/c1-29-7-9-30(10-8-29)6-3-11-32-22-14-20-17(13-21(22)31-2)23(27-15-26-20)28-19-5-4-1
6(24)12-18(19)25/h4-5,12-15H,3,6-11H2,1-2H3,(H,26,27,28) |
| InChIKey | LSHMOEOLVFEUHJ-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 | KDR | FGFR | Flt1 | ALL |
| Pub Chem Link |
5329035
|
| Drug Bank Link | - |
| ChemSpider Link | 4486197 |
| ChEMBL Link | CHEMBL431696 |
