| General Property |
| Molceule ID (DB) | EGIN0001993 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 10b compound |
| IUPAC Name | 2-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethan-1-ol |
| Formula | C19H17ClN6O3 |
| Mass | 412.83 |
| Exact Mass | 412.1050661 |
| Composition | C (55.28%), H (4.15%), Cl (8.59%), N (20.36%), O (11.63%) |
| Atom Count | 46 |
| PI | 7.02 |
| Smiles | n1cnc(c2c1[nH]nc2OCCO)Nc1ccc(c(c1)Cl)OCc1ncccc1 |
| InChI | 1S/C19H17ClN6O3/c20-14-9-12(4-5-15(14)29-10-13-3-1-2-6-21-13)24-17-16-18(23-11-22-17)25-26-19(16)28-
8-7-27/h1-6,9,11,27H,7-8,10H2,(H2,22,23,24,25,26) |
| InChIKey | BVXBBIZFISJCMB-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 |
11675978
|
| Drug Bank Link | - |
| ChemSpider Link | 9850707 |
| ChEMBL Link | CHEMBL257861 |
