| General Property |
| Molceule ID (DB) | EGIN0001976 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12a compound |
| IUPAC Name | 1-(2-{[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)piperidin-4-ol |
| Formula | C25H26ClFN6O3 |
| Mass | 512.964 |
| Exact Mass | 512.1738946 |
| Composition | C (58.54%), H (5.11%), Cl (6.91%), F (3.7%), N (16.38%), O (9.36%) |
| Atom Count | 62 |
| PI | 8.05 |
| Smiles | n1cnc(c2c1[nH]nc2OCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)Cl)OCc1cc(ccc1)F |
| InChI | 1S/C25H26ClFN6O3/c26-20-13-18(4-5-21(20)36-14-16-2-1-3-17(27)12-16)30-23-22-24(29-15-28-23)31-32-25(
22)35-11-10-33-8-6-19(34)7-9-33/h1-5,12-13,15,19,34H,6-11,14H2,(H2,28,29,30,31,32) |
| InChIKey | ZXQYLBWEILBYIE-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 |
11620487
|
| Drug Bank Link | - |
| ChemSpider Link | 9795235 |
| ChEMBL Link | CHEMBL255376 |
