| General Property |
| Molceule ID (DB) | EGIN0000803 |
| Inhibitor Class | Unknown |
| Molecule Name in Refrence Article | 39 compound |
| IUPAC Name | N-(2H-1,3-benzodioxol-5-ylmethyl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C20H17N5O2 |
| Mass | 359.3813 |
| Exact Mass | 359.1382248 |
| Composition | C (66.84%), H (4.77%), N (19.49%), O (8.9%) |
| Atom Count | 44 |
| PI | 11.9 |
| Smiles | c1nc2c(c(n1)NCc1cc3OCOc3cc1)cnn2c1cc(ccc1)C |
| InChI | 1S/C20H17N5O2/c1-13-3-2-4-15(7-13)25-20-16(10-24-25)19(22-11-23-20)21-9-14-5-6-17-18(8-14)27-12-26-1
7/h2-8,10-11H,9,12H2,1H3,(H,21,22,23) |
| InChIKey | IRLOMICYHIARJL-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 | 16413185 |
| 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 |
1304420
|
| Drug Bank Link | - |
| ChemSpider Link | 1093656 |
| ChEMBL Link | CHEMBL206483 |
