| General Property |
| Molceule ID (DB) | EGIN0000307 |
| Inhibitor Class | Anilino-pyrido-pyrimidine |
| Molecule Name in Refrence Article | 33 compound |
| IUPAC Name | 4-[bis(propan-2-yl)amino]-N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}but-2-ynamide |
| Formula | C23H24ClFN6O |
| Mass | 454.928 |
| Exact Mass | 454.1684153 |
| Composition | C (60.72%), H (5.32%), Cl (7.79%), F (4.18%), N (18.47%), O (3.52%) |
| Atom Count | 56 |
| PI | 9.96 |
| Smiles | N(C(C)C)(C(C)C)CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(c(c1)Cl)F |
| InChI | 1S/C23H24ClFN6O/c1-14(2)31(15(3)4)9-5-6-22(32)30-21-11-17-20(12-26-21)27-13-28-23(17)29-16-7-8-19(25
)18(24)10-16/h7-8,10-15H,9H2,1-4H3,(H,26,30,32)(H,27,28,29) |
| InChIKey | QAWQPXUVEVTPDR-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 |
11496207
|
| Drug Bank Link | - |
| ChemSpider Link | 9671013 |
| ChEMBL Link | CHEMBL383499 |
