| General Property |
| Molceule ID (DB) | EGIN0002166 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | PP369 |
| IUPAC Name | 5-{4-amino-1-[(3S)-piperidin-3-ylmethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-chlorophenol |
| Formula | C17H19ClN6O |
| Mass | 358.825 |
| Exact Mass | 358.130887 |
| Composition | C (56.9%), H (5.34%), Cl (9.88%), N (23.42%), O (4.46%) |
| Atom Count | 44 |
| PI | 8.96 |
| Smiles | n1cnc2c(c1N)c(nn2C[C@H]1CCCNC1)c1cc(c(cc1)Cl)O |
| InChI | 1S/C17H19ClN6O/c18-12-4-3-11(6-13(12)25)15-14-16(19)21-9-22-17(14)24(23-15)8-10-2-1-5-20-7-10/h3-4,6
,9-10,20,25H,1-2,5,7-8H2,(H2,19,21,22)/t10-/m0/s1 |
| InChIKey | MVFQHVQABARLKS-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 | 24605159 |
| ChEMBL Link | CHEMBL1241858 |
