| General Property |
| Molceule ID (DB) | EGIN0001984 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12i compound |
| IUPAC Name | 1-{2-[(4-{[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethyl}piperidin-4-ol |
| Formula | C25H29N7O4 |
| Mass | 491.5423 |
| Exact Mass | 491.2281025 |
| Composition | C (61.09%), H (5.95%), N (19.95%), O (13.02%) |
| Atom Count | 65 |
| PI | 8.05 |
| Smiles | n1cnc(c2c1[nH]nc2OCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)OC)OCc1ncccc1 |
| InChI | 1S/C25H29N7O4/c1-34-21-14-17(5-6-20(21)36-15-18-4-2-3-9-26-18)29-23-22-24(28-16-27-23)30-31-25(22)35
-13-12-32-10-7-19(33)8-11-32/h2-6,9,14,16,19,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31) |
| InChIKey | VMDUWDNQTGHKSN-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 |
11569434
|
| Drug Bank Link | - |
| ChemSpider Link | 9744204 |
| ChEMBL Link | CHEMBL401713 |
