| General Property |
| Molceule ID (DB) | EGIN0001979 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12d compound |
| IUPAC Name | 1-(2-{[4-({4-[(3-fluorophenyl)methoxy]-3-methylphenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)piperidin-4-ol |
| Formula | C26H29FN6O3 |
| Mass | 492.5453 |
| Exact Mass | 492.228517 |
| Composition | C (63.4%), H (5.93%), F (3.86%), N (17.06%), O (9.74%) |
| Atom Count | 65 |
| PI | 8.05 |
| Smiles | n1cnc(c2c1[nH]nc2OCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)C)OCc1cccc(c1)F |
| InChI | 1S/C26H29FN6O3/c1-17-13-20(5-6-22(17)36-15-18-3-2-4-19(27)14-18)30-24-23-25(29-16-28-24)31-32-26(23)
35-12-11-33-9-7-21(34)8-10-33/h2-6,13-14,16,21,34H,7-12,15H2,1H3,(H2,28,29,30,31,32) |
| InChIKey | RVSMZHTVMMGSFY-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 |
11627337
|
| Drug Bank Link | - |
| ChemSpider Link | 9802084 |
| ChEMBL Link | CHEMBL438536 |
