| General Property |
| Molceule ID (DB) | EGIN0002183 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP423 |
| IUPAC Name | 5-{4-amino-1-[(1R,3S)-3-methylcyclopentyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenol |
| Formula | C18H21N5O2 |
| Mass | 339.3916 |
| Exact Mass | 339.1695249 |
| Composition | C (63.7%), H (6.24%), N (20.64%), O (9.43%) |
| Atom Count | 46 |
| PI | 8.04 |
| Smiles | n1cnc2c(c1N)c(nn2[C@@H]1CC[C@@H](C1)C)c1cc(c(cc1)OC)O |
| InChI | 1S/C18H21N5O2/c1-10-3-5-12(7-10)23-18-15(17(19)20-9-21-18)16(22-23)11-4-6-14(25-2)13(24)8-11/h4,6,8-
10,12,24H,3,5,7H2,1-2H3,(H2,19,20,21)/t10-,12+/m0/s1 |
| InChIKey | RHFWTFDTRBFIHU-CMPLNLGQSA-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 | 24605142 |
| ChEMBL Link | CHEMBL1242202 |
