General Property |
Molceule ID (DB) | EGIN0000312 |
Inhibitor Class | Anilino-pyrido-pyrimidine |
Molecule Name in Refrence Article | 38 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-5-(piperidin-1-yl)pent-2-ynamide |
Formula | C23H22ClFN6O |
Mass | 452.912 |
Exact Mass | 452.1527653 |
Composition | C (60.99%), H (4.9%), Cl (7.83%), F (4.19%), N (18.56%), O (3.53%) |
Atom Count | 54 |
PI | 9.78 |
Smiles | N1(CCCCC1)CCC#CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C23H22ClFN6O/c24-18-12-16(7-8-19(18)25)29-23-17-13-21(26-14-20(17)27-15-28-23)30-22(32)6-2-5-11-3
1-9-3-1-4-10-31/h7-8,12-15H,1,3-5,9-11H2,(H,26,30,32)(H,27,28,29) |
InChIKey | FKXXCQSSSCJHOZ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000312.png) | Structure Backbone | ![](./frame/f_EGIN0000312.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 |
11604864
|
Drug Bank Link | - |
ChemSpider Link | 9779620 |
ChEMBL Link | CHEMBL205059 |