| General Property |
| Molceule ID (DB) | EGIN0002171 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP387 |
| IUPAC Name | 5-{4-amino-1-[(2S)-pyrrolidin-2-ylmethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-chlorophenol |
| Formula | C16H17ClN6O |
| Mass | 344.799 |
| Exact Mass | 344.1152369 |
| Composition | C (55.73%), H (4.97%), Cl (10.28%), N (24.37%), O (4.64%) |
| Atom Count | 41 |
| PI | 9.21 |
| Smiles | n1cnc2c(c1N)c(nn2C[C@H]1NCCC1)c1cc(c(cc1)Cl)O |
| InChI | 1S/C16H17ClN6O/c17-11-4-3-9(6-12(11)24)14-13-15(18)20-8-21-16(13)23(22-14)7-10-2-1-5-19-10/h3-4,6,8,
10,19,24H,1-2,5,7H2,(H2,18,20,21)/t10-/m0/s1 |
| InChIKey | IBSCAHNKEHRFKF-JTQLQIEISA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 24605154 |
| ChEMBL Link | CHEMBL1241769 |
