| General Property |
| Molceule ID (DB) | EGIN0000231 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 27 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[4-(piperidin-4-yl)butoxy]pyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
| Formula | C25H28ClFN6O2 |
| Mass | 498.98 |
| Exact Mass | 498.1946301 |
| Composition | C (60.18%), H (5.66%), Cl (7.11%), F (3.81%), N (16.84%), O (6.41%) |
| Atom Count | 63 |
| PI | 10.93 |
| Smiles | O=C(Nc1nc2c(cc1OCCCCC1CCNCC1)ncnc2Nc1ccc(c(c1)Cl)F)C=C |
| InChI | 1S/C25H28ClFN6O2/c1-2-22(34)32-24-21(35-12-4-3-5-16-8-10-28-11-9-16)14-20-23(33-24)25(30-15-29-20)31
-17-6-7-19(27)18(26)13-17/h2,6-7,13-16,28H,1,3-5,8-12H2,(H,29,30,31)(H,32,33,34) |
| InChIKey | DCLMOLMITSLNDB-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | CHEMBL284326 |
