General Property |
Molceule ID (DB) | EGIN0002228 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP97 |
IUPAC Name | 3-(1-benzofuran-5-yl)-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C18H17N5O |
Mass | 319.3605 |
Exact Mass | 319.1433102 |
Composition | C (67.7%), H (5.37%), N (21.93%), O (5.01%) |
Atom Count | 41 |
PI | 13.13 |
Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc2c(cc1)occ2 |
InChI | 1S/C18H17N5O/c19-17-15-16(12-5-6-14-11(9-12)7-8-24-14)22-23(13-3-1-2-4-13)18(15)21-10-20-17/h5-10,13
H,1-4H2,(H2,19,20,21) |
InChIKey | IVPZQVJSLCFTTO-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 |
24905196
|
Drug Bank Link | - |
ChemSpider Link | 24605264 |
ChEMBL Link | CHEMBL1241491 |