General Property |
Molceule ID (DB) | EGIN0002063 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP20 |
IUPAC Name | tert-butyl N-{4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate |
Formula | C20H26N6O3 |
Mass | 398.4588 |
Exact Mass | 398.2066387 |
Composition | C (60.29%), H (6.58%), N (21.09%), O (12.05%) |
Atom Count | 55 |
PI | 9.36 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)NC(=O)OC(C)(C)C)OC |
InChI | 1S/C20H26N6O3/c1-11(2)26-18-15(17(21)22-10-23-18)16(25-26)12-7-8-13(14(9-12)28-6)24-19(27)29-20(3,4)
5/h7-11H,1-6H3,(H,24,27)(H2,21,22,23) |
InChIKey | LVOBTCONHRNJJA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002063.png) | Structure Backbone | ![](./frame/f_EGIN0002063.png) |
|
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 |
24905150
|
Drug Bank Link | - |
ChemSpider Link | 24605310 |
ChEMBL Link | CHEMBL1241481 |