General Property |
Molceule ID (DB) | EGIN0002191 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP461 |
IUPAC Name | 5-{4-amino-1-cyclobutyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol |
Formula | C15H14FN5O |
Mass | 299.303 |
Exact Mass | 299.1182383 |
Composition | C (60.19%), H (4.71%), F (6.35%), N (23.4%), O (5.35%) |
Atom Count | 36 |
PI | 7.27 |
Smiles | n1cnc2c(c1N)c(nn2C1CCC1)c1cc(c(cc1)F)O |
InChI | 1S/C15H14FN5O/c16-10-5-4-8(6-11(10)22)13-12-14(17)18-7-19-15(12)21(20-13)9-2-1-3-9/h4-7,9,22H,1-3H2,
(H2,17,18,19) |
InChIKey | KUMLEJXITHSWSP-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002191.png) | Structure Backbone | ![](./frame/f_EGIN0002191.png) |
|
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 |
24905325
|
Drug Bank Link | - |
ChemSpider Link | 24605133 |
ChEMBL Link | CHEMBL1242566 |