| General Property |
| Molceule ID (DB) | EGIN0001751 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 15 compound |
| IUPAC Name | 6-N-(3-chlorophenyl)-9-ethyl-2-N-[(1s,4s)-4-aminocyclohexyl]-9H-purine-2,6-diamine |
| Formula | C19H24ClN7 |
| Mass | 385.894 |
| Exact Mass | 385.1781715 |
| Composition | C (59.14%), H (6.27%), Cl (9.19%), N (25.41%) |
| Atom Count | 51 |
| PI | 12.33 |
| Smiles | c12c(nc(nc1Nc1cc(Cl)ccc1)N[C@H]1CC[C@@H](N)CC1)n(cn2)CC |
| InChI | 1S/C19H24ClN7/c1-2-27-11-22-16-17(23-15-5-3-4-12(20)10-15)25-19(26-18(16)27)24-14-8-6-13(21)7-9-14/h
3-5,10-11,13-14H,2,6-9,21H2,1H3,(H2,23,24,25,26)/t13-,14+ |
| InChIKey | IKKPOUJRFXLTCL-OKILXGFUSA-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 | 9990463 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PKA | CDK1 | PKC alpha | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23240570 |
| ChEMBL Link | CHEMBL173459 |
