| General Property |
| Molceule ID (DB) | EGIN0001981 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12f compound |
| IUPAC Name | 1-(2-{[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)piperidin-4-ol |
| Formula | C25H29N7O3 |
| Mass | 475.5429 |
| Exact Mass | 475.2331878 |
| Composition | C (63.14%), H (6.15%), N (20.62%), O (10.09%) |
| Atom Count | 64 |
| PI | 8.05 |
| Smiles | n1cnc(c2c1[nH]nc2OCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)C)Oc1ccc(nc1)C |
| InChI | 1S/C25H29N7O3/c1-16-13-18(4-6-21(16)35-20-5-3-17(2)26-14-20)29-23-22-24(28-15-27-23)30-31-25(22)34-1
2-11-32-9-7-19(33)8-10-32/h3-6,13-15,19,33H,7-12H2,1-2H3,(H2,27,28,29,30,31) |
| InChIKey | LYCPWHYCBIEJPN-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 |
11712609
|
| Drug Bank Link | - |
| ChemSpider Link | 9887330 |
| ChEMBL Link | CHEMBL257872 |
