| General Property |
| Molceule ID (DB) | EGIN0004839 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | 3-(2-benzyl-1H-1,3-benzodiazol-6-yl)-1-[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C29H32N8O |
| Mass | 508.6174 |
| Exact Mass | 508.2699077 |
| Composition | C (68.48%), H (6.34%), N (22.03%), O (3.15%) |
| Atom Count | 70 |
| PI | 9.98 |
| Smiles | c1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCOCC1)c1cc2c(cc1)nc([nH]2)Cc1ccccc1)N |
| InChI | 1S/C29H32N8O/c30-28-26-27(20-6-11-23-24(17-20)34-25(33-23)16-19-4-2-1-3-5-19)35-37(29(26)32-18-31-28
)22-9-7-21(8-10-22)36-12-14-38-15-13-36/h1-6,11,17-18,21-22H,7-10,12-16H2,(H,33,34)(H2,30,31,32)/t21
-,22- |
| InChIKey | MSLPPMUTXCBVLE-HZCBDIJESA-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 | 19217287 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | IGF-IR | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23306101 |
| ChEMBL Link | CHEMBL249496 |
