| General Property |
| Molceule ID (DB) | EGIN0001988 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12m compound |
| IUPAC Name | N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(pyrrolidin-1-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C23H24ClN7O2 |
| Mass | 465.935 |
| Exact Mass | 465.1680008 |
| Composition | C (59.29%), H (5.19%), Cl (7.61%), N (21.04%), O (6.87%) |
| Atom Count | 57 |
| PI | 8.35 |
| Smiles | n1cnc(c2c1[nH]nc2OCCN1CCCC1)Nc1ccc(c(c1)Cl)OCc1ncccc1 |
| InChI | 1S/C23H24ClN7O2/c24-18-13-16(6-7-19(18)33-14-17-5-1-2-8-25-17)28-21-20-22(27-15-26-21)29-30-23(20)32
-12-11-31-9-3-4-10-31/h1-2,5-8,13,15H,3-4,9-12,14H2,(H2,26,27,28,29,30) |
| InChIKey | KOQXIMMOAUHZFN-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 |
11561779
|
| Drug Bank Link | - |
| ChemSpider Link | 9736553 |
| ChEMBL Link | CHEMBL402553 |
