| General Property |
| Molceule ID (DB) | EGIN0001199 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 27 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]pyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
| Formula | C26H29ClFN5O2 |
| Mass | 497.992 |
| Exact Mass | 497.1993811 |
| Composition | C (62.71%), H (5.87%), Cl (7.12%), F (3.82%), N (14.06%), O (6.43%) |
| Atom Count | 64 |
| PI | 10.34 |
| Smiles | c12nc(c(cc1ncnc2Cc1cc(c(cc1)F)Cl)OCCCN1CC[C@H](CC1)C)NC(=O)C=C |
| InChI | 1S/C26H29ClFN5O2/c1-3-24(34)31-26-23(35-12-4-9-33-10-7-17(2)8-11-33)15-22-25(32-26)21(29-16-30-22)14
-18-5-6-20(28)19(27)13-18/h3,5-6,13,15-17H,1,4,7-12,14H2,2H3,(H,31,32,34) |
| InChIKey | AWCQDWUIVITOIN-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 | 10956451 |
| 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 |
44564025
|
| Drug Bank Link | - |
| ChemSpider Link | 23334587 |
| ChEMBL Link | CHEMBL448172 |
