| General Property |
| Molceule ID (DB) | EGIN0001750 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | 2-N-[(1S,3R)-3-aminocyclohexyl]-6-N-(3-chlorophenyl)-9-ethyl-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 | 12.12 |
| Smiles | c12c(nc(nc1Nc1cc(Cl)ccc1)N[C@@H]1C[C@H](N)CCC1)n(cn2)CC |
| InChI | 1S/C19H24ClN7/c1-2-27-11-22-16-17(23-14-7-3-5-12(20)9-14)25-19(26-18(16)27)24-15-8-4-6-13(21)10-15/h
3,5,7,9,11,13,15H,2,4,6,8,10,21H2,1H3,(H2,23,24,25,26)/t13-,15+/m1/s1 |
| InChIKey | JXZIZOIXGMUPSK-HIFRSBDPSA-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 | CDK1 | PKC alpha | PKA | ALL |
| Pub Chem Link |
44384717
|
| Drug Bank Link | - |
| ChemSpider Link | 23240149 |
| ChEMBL Link | CHEMBL368278 |
