General Property |
Molceule ID (DB) | EGIN0002309 |
Inhibitor Class | Thiazolo-pyrimidine |
Molecule Name in Refrence Article | 6m compound |
IUPAC Name | 7-N-(3-chloro-4-fluorophenyl)-2-N-[4-(piperidin-1-ylmethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine |
Formula | C23H22ClFN6S |
Mass | 468.977 |
Exact Mass | 468.1299213 |
Composition | C (58.9%), H (4.73%), Cl (7.56%), F (4.05%), N (17.92%), S (6.84%) |
Atom Count | 54 |
PI | 10.76 |
Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)F)Cl)Nc1ccc(cc1)CN1CCCCC1 |
InChI | 1S/C23H22ClFN6S/c24-18-12-17(8-9-19(18)25)28-21-20-22(27-14-26-21)30-23(32-20)29-16-6-4-15(5-7-16)13
-31-10-2-1-3-11-31/h4-9,12,14H,1-3,10-11,13H2,(H2,26,27,28,29,30) |
InChIKey | DLMNHRYJMPUZPA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002309.png) | Structure Backbone | ![](./frame/f_EGIN0002309.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 | 19286381 |
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 |
16036986
|
Drug Bank Link | - |
ChemSpider Link | 13165580 |
ChEMBL Link | CHEMBL470011 |