General Property |
Molceule ID (DB) | EGIN0000314 |
Inhibitor Class | Anilino-pyrido-pyrimidine |
Molecule Name in Refrence Article | 40 compound |
IUPAC Name | N-{4-[(3-bromo-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-5-(4-methylpiperazin-1-yl)pent-2-ynamide |
Formula | C23H23BrFN7O |
Mass | 512.377 |
Exact Mass | 511.1131492 |
Composition | C (53.91%), H (4.52%), Br (15.59%), F (3.71%), N (19.14%), O (3.12%) |
Atom Count | 56 |
PI | 9.72 |
Smiles | N1(CCN(CC1)C)CCC#CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(c(c1)Br)F |
InChI | 1S/C23H23BrFN7O/c1-31-8-10-32(11-9-31)7-3-2-4-22(33)30-21-13-17-20(14-26-21)27-15-28-23(17)29-16-5-6
-19(25)18(24)12-16/h5-6,12-15H,3,7-11H2,1H3,(H,26,30,33)(H,27,28,29) |
InChIKey | PXBVPDIMCOILPS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000314.png) | Structure Backbone | ![](./frame/f_EGIN0000314.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 |
11613187
|
Drug Bank Link | - |
ChemSpider Link | 9787941 |
ChEMBL Link | CHEMBL437890 |