| General Property |
| Molceule ID (DB) | EGIN0002207 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP54 |
| IUPAC Name | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C16H17N5O2 |
| Mass | 311.3385 |
| Exact Mass | 311.1382248 |
| Composition | C (61.72%), H (5.5%), N (22.49%), O (10.28%) |
| Atom Count | 40 |
| PI | 13.13 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)OCCO2 |
| InChI | 1S/C16H17N5O2/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)10-3-4-11-12(7-10)23-6-5-22-11/h3-4,7-9H,5-6
H2,1-2H3,(H2,17,18,19) |
| InChIKey | LMVAHLFZGWUGNF-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 | 18849971 |
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | 24605289 |
| ChEMBL Link | CHEMBL1241588 |
