General Property |
Molceule ID (DB) | EGIN0002137 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | PP157 |
IUPAC Name | 5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-hydroxybenzonitrile |
Formula | C15H14N6O |
Mass | 294.3113 |
Exact Mass | 294.1229091 |
Composition | C (61.21%), H (4.79%), N (28.55%), O (5.44%) |
Atom Count | 36 |
PI | 7.01 |
Smiles | CC(C)n1nc(c2c(N)ncnc12)c1cc(C#N)c(O)cc1 |
InChI | InChI=1S/C15H14N6O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-3-4-11(22)10(5-9)6-16/h3-5,7-8,22H,1-
2H3,(H2,17,18,19) |
InChIKey | InChIKey=LTWOJQSOPFKBFM-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002137.png) | Structure Backbone | ![](./frame/f_EGIN0002137.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 |
-
|
Drug Bank Link | - |
ChemSpider Link | 24605217 |
ChEMBL Link | - |