| General Property |
| Molceule ID (DB) | EGIN0002086 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP42 |
| IUPAC Name | 2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-benzothiophene-5-carbaldehyde |
| Formula | C17H15N5OS |
| Mass | 337.399 |
| Exact Mass | 337.0997308 |
| Composition | C (60.52%), H (4.48%), N (20.76%), O (4.74%), S (9.5%) |
| Atom Count | 39 |
| PI | 13.06 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1sc2c(c1)cc(cc2)C=O |
| InChI | 1S/C17H15N5OS/c1-9(2)22-17-14(16(18)19-8-20-17)15(21-22)13-6-11-5-10(7-23)3-4-12(11)24-13/h3-9H,1-2H
3,(H2,18,19,20) |
| InChIKey | JDRPVJJOYKLLFH-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 |
24905163
|
| Drug Bank Link | - |
| ChemSpider Link | 24605298 |
| ChEMBL Link | CHEMBL1241684 |
