| General Property |
| Molceule ID (DB) | EGIN0001996 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 16c compound |
| IUPAC Name | N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[3-(4-methylpiperazin-1-yl)propoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C25H29ClN8O2 |
| Mass | 509.003 |
| Exact Mass | 508.2101999 |
| Composition | C (58.99%), H (5.74%), Cl (6.97%), N (22.01%), O (6.29%) |
| Atom Count | 65 |
| PI | 8.28 |
| Smiles | n1cnc(c2c1[nH]nc2OCCCN1CCN(CC1)C)Nc1ccc(c(c1)Cl)OCc1ncccc1 |
| InChI | 1S/C25H29ClN8O2/c1-33-10-12-34(13-11-33)9-4-14-35-25-22-23(28-17-29-24(22)31-32-25)30-18-6-7-21(20(2
6)15-18)36-16-19-5-2-3-8-27-19/h2-3,5-8,15,17H,4,9-14,16H2,1H3,(H2,28,29,30,31,32) |
| InChIKey | BERLNDGSHCXVKP-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 |
11533556
|
| Drug Bank Link | - |
| ChemSpider Link | 9708339 |
| ChEMBL Link | CHEMBL272935 |
