| General Property |
| Molceule ID (DB) | EGIN0002213 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP64 |
| IUPAC Name | 1-(propan-2-yl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C17H21N5O3 |
| Mass | 343.3803 |
| Exact Mass | 343.1644396 |
| Composition | C (59.46%), H (6.16%), N (20.4%), O (13.98%) |
| Atom Count | 46 |
| PI | 13.13 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(c(c(c1)OC)OC)OC |
| InChI | 1S/C17H21N5O3/c1-9(2)22-17-13(16(18)19-8-20-17)14(21-22)10-6-11(23-3)15(25-5)12(7-10)24-4/h6-9H,1-5H
3,(H2,18,19,20) |
| InChIKey | LCQAIZAFSOZWRC-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 |
24905177
|
| Drug Bank Link | - |
| ChemSpider Link | 24605283 |
| ChEMBL Link | CHEMBL1242660 |
