General Property |
Molceule ID (DB) | EGIN0003106 |
Inhibitor Class | Anilino-pyrimidine |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | (2Z)-3-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-methylpyrimidin-5-yl]-2-fluoro-N-[2-(morpholin-4-yl)ethyl]prop-2-enamide |
Formula | C27H28ClF2N5O3 |
Mass | 543.993 |
Exact Mass | 543.1848739 |
Composition | C (59.61%), H (5.19%), Cl (6.52%), F (6.98%), N (12.87%), O (8.82%) |
Atom Count | 66 |
PI | 8.51 |
Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)/C=C(/C(=O)NCCN1CCOCC1)F |
InChI | 1S/C27H28ClF2N5O3/c1-18-22(15-24(30)27(36)31-7-8-35-9-11-37-12-10-35)26(33-17-32-18)34-21-5-6-25(23(
28)14-21)38-16-19-3-2-4-20(29)13-19/h2-6,13-15,17H,7-12,16H2,1H3,(H,31,36)(H,32,33,34)/b24-15- |
InChIKey | HJVYBTQSZTWFII-IWIPYMOSSA-N |
2D Structure | ![](./image/EGIN0003106.png) | Structure Backbone | ![](./frame/f_EGIN0003106.png) |
|
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 | 21334203 |
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 |
53318458
|
Drug Bank Link | - |
ChemSpider Link | 26388359 |
ChEMBL Link | CHEMBL1683965 |