| General Property |
| Molceule ID (DB) | EGIN0002201 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP494 |
| IUPAC Name | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-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 | C1CCC1n1nc(c2c1ncnc2N)c1cc(c(cc1)OC)OC |
| InChI | 1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3
-5H2,1-2H3,(H2,18,19,20) |
| InChIKey | ITOYZJGFTNTKKR-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 |
24905153
|
| Drug Bank Link | - |
| ChemSpider Link | 24605308 |
| ChEMBL Link | CHEMBL1233881 |
