| General Property |
| Molceule ID (DB) | EGIN0001731 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 11 Compound |
| IUPAC Name | N-(5-chloro-2-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine |
| 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 | 10.14 |
| Smiles | c12c(cc(c(c1)OCCCN1CCOCC1)OC)ncnc2Nc1c(ccc(c1)Cl)F |
| InChI | 1S/C22H24ClFN4O3/c1-29-20-13-18-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-18)27-19-11-15(23
)3-4-17(19)24/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) |
| InChIKey | DUCBKFANLUPMGX-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 | 16806916 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
44416407
|
| Drug Bank Link | - |
| ChemSpider Link | 23275806 |
| ChEMBL Link | CHEMBL384699 |
