| General Property |
| Molceule ID (DB) | EGIN0000247 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 6f compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}prop-2-enamide |
| Formula | C16H11ClFN5O |
| Mass | 343.743 |
| Exact Mass | 343.0636159 |
| Composition | C (55.91%), H (3.23%), Cl (10.31%), F (5.53%), N (20.37%), O (4.65%) |
| Atom Count | 35 |
| PI | 8.45 |
| Smiles | c12c(cnc(c1)NC(=O)C=C)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C16H11ClFN5O/c1-2-15(24)23-14-6-10-13(7-19-14)20-8-21-16(10)22-9-3-4-12(18)11(17)5-9/h2-8H,1H2,(H
,19,23,24)(H,20,21,22) |
| InChIKey | CIGSBJHMSOROSY-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 | 10346932 |
| 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 |
10759828
|
| Drug Bank Link | - |
| ChemSpider Link | 8935147 |
| ChEMBL Link | CHEMBL53555 |
