General Property |
Molceule ID (DB) | EGIN0002193 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP465 |
IUPAC Name | 5-{4-amino-1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol |
Formula | C18H20FN5O |
Mass | 341.3827 |
Exact Mass | 341.1651885 |
Composition | C (63.33%), H (5.91%), F (5.57%), N (20.51%), O (4.69%) |
Atom Count | 45 |
PI | 7.27 |
Smiles | n1cnc2c(c1N)c(nn2C1CCCCCC1)c1cc(c(cc1)F)O |
InChI | 1S/C18H20FN5O/c19-13-8-7-11(9-14(13)25)16-15-17(20)21-10-22-18(15)24(23-16)12-5-3-1-2-4-6-12/h7-10,1
2,25H,1-6H2,(H2,20,21,22) |
InChIKey | XNODQMMIMXSTMX-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 |
24905327
|
Drug Bank Link | - |
ChemSpider Link | 24605131 |
ChEMBL Link | CHEMBL1242750 |