General Property |
Molceule ID (DB) | EGIN0002125 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP143 |
IUPAC Name | 6-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-4H-chromen-4-one |
Formula | C17H15N5O2 |
Mass | 321.3333 |
Exact Mass | 321.1225747 |
Composition | C (63.54%), H (4.71%), N (21.79%), O (9.96%) |
Atom Count | 39 |
PI | 10.97 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)occc2=O |
InChI | 1S/C17H15N5O2/c1-9(2)22-17-14(16(18)19-8-20-17)15(21-22)10-3-4-13-11(7-10)12(23)5-6-24-13/h3-9H,1-2H
3,(H2,18,19,20) |
InChIKey | YRJGEWAWXXEJNX-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 |
24905229
|
Drug Bank Link | - |
ChemSpider Link | 24605230 |
ChEMBL Link | CHEMBL1242118 |