| General Property |
| Molceule ID (DB) | EGIN0002075 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP30 |
| IUPAC Name | 3-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide |
| Formula | C18H19N7OS |
| Mass | 381.455 |
| Exact Mass | 381.137179 |
| Composition | C (56.68%), H (5.02%), N (25.7%), O (4.19%), S (8.41%) |
| Atom Count | 46 |
| PI | 9.52 |
| Smiles | n1cnc2c(c1N)c(nn2C(C)C)c1cc(ccc1)C(=O)NC1=NCCS1 |
| InChI | 1S/C18H19N7OS/c1-10(2)25-16-13(15(19)21-9-22-16)14(24-25)11-4-3-5-12(8-11)17(26)23-18-20-6-7-27-18/h
3-5,8-10H,6-7H2,1-2H3,(H2,19,21,22)(H,20,23,26) |
| InChIKey | WGYPOAXANMFHMT-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 |
24905154
|
| Drug Bank Link | - |
| ChemSpider Link | 24605307 |
| ChEMBL Link | CHEMBL1242115 |
