| General Property |
| Molceule ID (DB) | EGIN0001195 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)methyl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
| Formula | C18H14ClFN4O2 |
| Mass | 372.781 |
| Exact Mass | 372.0789316 |
| Composition | C (57.99%), H (3.79%), Cl (9.51%), F (5.1%), N (15.03%), O (8.58%) |
| Atom Count | 40 |
| PI | 7.02 |
| Smiles | c12nc(c(cc1ncnc2Cc1cc(c(cc1)F)Cl)OC)NC(=O)C=C |
| InChI | 1S/C18H14ClFN4O2/c1-3-16(25)23-18-15(26-2)8-14-17(24-18)13(21-9-22-14)7-10-4-5-12(20)11(19)6-10/h3-6
,8-9H,1,7H2,2H3,(H,23,24,25) |
| InChIKey | HAPCXWXXDHZDQW-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 |
44564529
|
| Drug Bank Link | - |
| ChemSpider Link | 23335382 |
| ChEMBL Link | CHEMBL490497 |
