| General Property |
| Molceule ID (DB) | EGIN0004821 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | 3-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C29H31ClN8O |
| Mass | 543.062 |
| Exact Mass | 542.2309354 |
| Composition | C (64.14%), H (5.75%), Cl (6.53%), N (20.63%), O (2.95%) |
| Atom Count | 70 |
| PI | 9.96 |
| Smiles | c1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCOCC1)c1cc2c(cc1)nc([nH]2)Cc1ccccc1Cl)N |
| InChI | 1S/C29H31ClN8O/c30-22-4-2-1-3-18(22)16-25-34-23-10-5-19(15-24(23)35-25)27-26-28(31)32-17-33-29(26)38
(36-27)21-8-6-20(7-9-21)37-11-13-39-14-12-37/h1-5,10,15,17,20-21H,6-9,11-14,16H2,(H,34,35)(H2,31,32,
33)/t20-,21- |
| InChIKey | DZHMNRMMNFEUNL-MEMLXQNLSA-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 | 23306107 |
| ChEMBL Link | CHEMBL251732 |
