General Property |
Molceule ID (DB) | EGIN0002149 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP23 |
IUPAC Name | 3-(3,4-dimethoxyphenyl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C16H19N5O2 |
Mass | 313.3544 |
Exact Mass | 313.1538749 |
Composition | C (61.33%), H (6.11%), N (22.35%), O (10.21%) |
Atom Count | 42 |
PI | 13.13 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)OC)OC |
InChI | 1S/C16H19N5O2/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)10-5-6-11(22-3)12(7-10)23-4/h5-9H,1-4H3,(H2,
17,18,19) |
InChIKey | CJFWNLXLAAHQJY-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 |
24905343
|
Drug Bank Link | - |
ChemSpider Link | 24605116 |
ChEMBL Link | CHEMBL1242290 |