| General Property |
| Molceule ID (DB) | EGIN0002064 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PIK-294 |
| IUPAC Name | 2-{[4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one |
| Formula | C28H23N7O2 |
| Mass | 489.5279 |
| Exact Mass | 489.191323 |
| Composition | C (68.7%), H (4.74%), N (20.03%), O (6.54%) |
| Atom Count | 60 |
| PI | 8.04 |
| Smiles | n1cnc2c(c1N)c(nn2Cc1n(c(=O)c2c(n1)cccc2C)c1c(cccc1)C)c1cc(ccc1)O |
| InChI | 1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31
-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31) |
| InChIKey | WFSLJOPRIJSOJR-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 |
24905149
|
| Drug Bank Link | - |
| ChemSpider Link | 24605311 |
| ChEMBL Link | CHEMBL1241767 |
