General Property |
Molceule ID (DB) | EGIN0002085 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP413 |
IUPAC Name | 5-[4-amino-1-(azetidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol |
Formula | C14H13FN6O |
Mass | 300.291 |
Exact Mass | 300.1134873 |
Composition | C (56%), H (4.36%), F (6.33%), N (27.99%), O (5.33%) |
Atom Count | 35 |
PI | 8.59 |
Smiles | n1cnc2c(c1N)c(nn2C1CNC1)c1cc(c(cc1)F)O |
InChI | 1S/C14H13FN6O/c15-9-2-1-7(3-10(9)22)12-11-13(16)18-6-19-14(11)21(20-12)8-4-17-5-8/h1-3,6,8,17,22H,4-
5H2,(H2,16,18,19) |
InChIKey | VPSLBUMYCILBRD-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002085.png) | Structure Backbone | ![](./frame/f_EGIN0002085.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 |
24905314
|
Drug Bank Link | - |
ChemSpider Link | 24605144 |
ChEMBL Link | CHEMBL1242567 |