| General Property |
| Molceule ID (DB) | EGIN0000920 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 31 compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N'-[3-(morpholin-4-yl)propyl]but-2-enediamide |
| Formula | C24H25ClFN7O3 |
| Mass | 513.952 |
| Exact Mass | 513.1691436 |
| Composition | C (56.09%), H (4.9%), Cl (6.9%), F (3.7%), N (19.08%), O (9.34%) |
| Atom Count | 61 |
| PI | 9.57 |
| Smiles | n1cnc2c(c1Nc1ccc(c(c1)Cl)F)cc(nc2)NC(=O)/C=C/C(=O)NCCCN1CCOCC1 |
| InChI | 1S/C24H25ClFN7O3/c25-18-12-16(2-3-19(18)26)31-24-17-13-21(28-14-20(17)29-15-30-24)32-23(35)5-4-22(34
)27-6-1-7-33-8-10-36-11-9-33/h2-5,12-15H,1,6-11H2,(H,27,34)(H,28,32,35)(H,29,30,31)/b5-4+ |
| InChIKey | KNXXEFGLJICDBL-SNAWJCMRSA-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 | 11462982 |
| 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 |
5329092
|
| Drug Bank Link | - |
| ChemSpider Link | 4486254 |
| ChEMBL Link | CHEMBL138940 |
