| General Property |
| Molceule ID (DB) | EGIN0001985 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12j compound |
| IUPAC Name | N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(methylamino)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C20H20ClN7O2 |
| Mass | 425.872 |
| Exact Mass | 425.1367006 |
| Composition | C (56.41%), H (4.73%), Cl (8.32%), N (23.02%), O (7.51%) |
| Atom Count | 50 |
| PI | 9.13 |
| Smiles | n1cnc(c2c1[nH]nc2OCCNC)Nc1ccc(c(c1)Cl)OCc1ncccc1 |
| InChI | 1S/C20H20ClN7O2/c1-22-8-9-29-20-17-18(24-12-25-19(17)27-28-20)26-13-5-6-16(15(21)10-13)30-11-14-4-2-
3-7-23-14/h2-7,10,12,22H,8-9,11H2,1H3,(H2,24,25,26,27,28) |
| InChIKey | MPSMEEDGQBLMNI-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 18182285 |
| 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 |
11597061
|
| Drug Bank Link | - |
| ChemSpider Link | 9771821 |
| ChEMBL Link | CHEMBL255135 |
