| General Property |
| Molceule ID (DB) | EGIN0002164 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP361 |
| IUPAC Name | 3-(4-ethoxy-3-methoxyphenyl)-1-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C17H19N5O2 |
| Mass | 325.3651 |
| Exact Mass | 325.1538749 |
| Composition | C (62.75%), H (5.89%), N (21.52%), O (9.83%) |
| Atom Count | 43 |
| PI | 13.13 |
| Smiles | n1cnc2c(c1N)c(nn2CC=C)c1cc(c(cc1)OCC)OC |
| InChI | 1S/C17H19N5O2/c1-4-8-22-17-14(16(18)19-10-20-17)15(21-22)11-6-7-12(24-5-2)13(9-11)23-3/h4,6-7,9-10H,
1,5,8H2,2-3H3,(H2,18,19,20) |
| InChIKey | GGBQGMRDBYCCLW-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 |
24905297
|
| Drug Bank Link | - |
| ChemSpider Link | 24605161 |
| ChEMBL Link | CHEMBL1242569 |
