| General Property |
| Molceule ID (DB) | EGIN0001192 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
| Formula | C17H12ClFN4O |
| Mass | 342.755 |
| Exact Mass | 342.0683669 |
| Composition | C (59.57%), H (3.53%), Cl (10.34%), F (5.54%), N (16.35%), O (4.67%) |
| Atom Count | 36 |
| PI | 7.54 |
| Smiles | c12nc(ccc1ncnc2Cc1cc(c(cc1)F)Cl)NC(=O)C=C |
| InChI | 1S/C17H12ClFN4O/c1-2-16(24)22-15-6-5-13-17(23-15)14(21-9-20-13)8-10-3-4-12(19)11(18)7-10/h2-7,9H,1,8
H2,(H,22,23,24) |
| InChIKey | YBZDFXKFZUDAAC-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 |
44564526
|
| Drug Bank Link | - |
| ChemSpider Link | 23335379 |
| ChEMBL Link | CHEMBL524117 |
