General Property |
Molceule ID (DB) | EGIN0002165 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP362 |
IUPAC Name | 1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C20H25N5O2 |
Mass | 367.4448 |
Exact Mass | 367.2008251 |
Composition | C (65.37%), H (6.86%), N (19.06%), O (8.71%) |
Atom Count | 52 |
PI | 13.13 |
Smiles | n1cnc2c(c1N)c(nn2C1CCCCC1)c1cc(c(cc1)OCC)OC |
InChI | 1S/C20H25N5O2/c1-3-27-15-10-9-13(11-16(15)26-2)18-17-19(21)22-12-23-20(17)25(24-18)14-7-5-4-6-8-14/h
9-12,14H,3-8H2,1-2H3,(H2,21,22,23) |
InChIKey | HKWNGVFHUCRTTQ-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 |
24905298
|
Drug Bank Link | - |
ChemSpider Link | 24605160 |
ChEMBL Link | CHEMBL1242659 |