General Property |
Molceule ID (DB) | EGIN0002225 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP93 |
IUPAC Name | 4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2,5-difluorophenol |
Formula | C14H13F2N5O |
Mass | 305.2827 |
Exact Mass | 305.1088165 |
Composition | C (55.08%), H (4.29%), F (12.45%), N (22.94%), O (5.24%) |
Atom Count | 35 |
PI | 6.75 |
Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1F)O)F |
InChI | 1S/C14H13F2N5O/c1-6(2)21-14-11(13(17)18-5-19-14)12(20-21)7-3-9(16)10(22)4-8(7)15/h3-6,22H,1-2H3,(H2,
17,18,19) |
InChIKey | DYEJYFAQYRMVFS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002225.png) | Structure Backbone | ![](./frame/f_EGIN0002225.png) |
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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 |
-
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Drug Bank Link | - |
ChemSpider Link | 24605268 |
ChEMBL Link | CHEMBL1242028 |