| General Property |
| Molceule ID (DB) | EGIN0000227 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methylpyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
| Formula | C17H13ClFN5O |
| Mass | 357.769 |
| Exact Mass | 357.079266 |
| Composition | C (57.07%), H (3.66%), Cl (9.91%), F (5.31%), N (19.58%), O (4.47%) |
| Atom Count | 38 |
| PI | 8.37 |
| Smiles | O=C(Nc1nc2c(cc1C)ncnc2Nc1ccc(c(c1)Cl)F)C=C |
| InChI | 1S/C17H13ClFN5O/c1-3-14(25)23-16-9(2)6-13-15(24-16)17(21-8-20-13)22-10-4-5-12(19)11(18)7-10/h3-8H,1H
2,2H3,(H,20,21,22)(H,23,24,25) |
| InChIKey | BABFSKKMRYSQIR-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 | 10753475 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL31816 |
