General Property |
Molceule ID (DB) | EGIN0002169 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP379 |
IUPAC Name | 5-{4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol |
Formula | C16H16FN5O |
Mass | 313.3295 |
Exact Mass | 313.1338884 |
Composition | C (61.33%), H (5.15%), F (6.06%), N (22.35%), O (5.11%) |
Atom Count | 39 |
PI | 7.27 |
Smiles | n1cnc2c(c1N)c(nn2C1CCCC1)c1cc(c(cc1)F)O |
InChI | 1S/C16H16FN5O/c17-11-6-5-9(7-12(11)23)14-13-15(18)19-8-20-16(13)22(21-14)10-3-1-2-4-10/h5-8,10,23H,1
-4H2,(H2,18,19,20) |
InChIKey | PQRFMBAACAPZPP-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 |
24905302
|
Drug Bank Link | - |
ChemSpider Link | 24605156 |
ChEMBL Link | CHEMBL1242568 |