| General Property |
| Molceule ID (DB) | EGIN0000305 |
| Inhibitor Class | Anilino-pyrido-pyrimidine |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}hept-2-ynamide |
| Formula | C20H17ClFN5O |
| Mass | 397.833 |
| Exact Mass | 397.1105661 |
| Composition | C (60.38%), H (4.31%), Cl (8.91%), F (4.78%), N (17.6%), O (4.02%) |
| Atom Count | 45 |
| PI | 7.99 |
| Smiles | c12c(cnc(c1)NC(=O)C#CCCCC)ncnc2Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C20H17ClFN5O/c1-2-3-4-5-6-19(28)27-18-10-14-17(11-23-18)24-12-25-20(14)26-13-7-8-16(22)15(21)9-13
/h7-12H,2-4H2,1H3,(H,23,27,28)(H,24,25,26) |
| InChIKey | PEOYVSCYYMEJBB-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 | 16480284 |
| 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 |
11524106
|
| Drug Bank Link | - |
| ChemSpider Link | 9698892 |
| ChEMBL Link | CHEMBL202424 |
