General Property |
Molceule ID (DB) | EGIN0000306 |
Inhibitor Class | Anilino-pyrido-pyrimidine |
Molecule Name in Refrence Article | 32 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(diethylamino)but-2-ynamide |
Formula | C21H20ClFN6O |
Mass | 426.875 |
Exact Mass | 426.1371152 |
Composition | C (59.09%), H (4.72%), Cl (8.31%), F (4.45%), N (19.69%), O (3.75%) |
Atom Count | 50 |
PI | 9.66 |
Smiles | N(CC)(CC)CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C21H20ClFN6O/c1-3-29(4-2)9-5-6-20(30)28-19-11-15-18(12-24-19)25-13-26-21(15)27-14-7-8-17(23)16(22
)10-14/h7-8,10-13H,3-4,9H2,1-2H3,(H,24,28,30)(H,25,26,27) |
InChIKey | MCIZZPUSTVXXPG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000306.png) | Structure Backbone | ![](./frame/f_EGIN0000306.png) |
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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 | 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 |
11711590
|
Drug Bank Link | - |
ChemSpider Link | 9886312 |
ChEMBL Link | CHEMBL202425 |