| General Property |
| Molceule ID (DB) | EGIN0002199 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP491 |
| IUPAC Name | 5-{4-amino-1-cyclobutyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-bromophenol |
| Formula | C15H14BrN5O |
| Mass | 360.209 |
| Exact Mass | 359.0381727 |
| Composition | C (50.02%), H (3.92%), Br (22.18%), N (19.44%), O (4.44%) |
| Atom Count | 36 |
| PI | 7.11 |
| Smiles | n1cnc2c(c1N)c(nn2C1CCC1)c1cc(c(cc1)Br)O |
| InChI | 1S/C15H14BrN5O/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 | HRRMXIICSWVXIS-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 |
24905332
|
| Drug Bank Link | - |
| ChemSpider Link | 24605126 |
| ChEMBL Link | CHEMBL1242287 |
