| General Property |
| Molceule ID (DB) | EGIN0001745 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 6 compound |
| IUPAC Name | 2-N-(2-aminoethyl)-6-N-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine |
| Formula | C15H18ClN7 |
| Mass | 331.803 |
| Exact Mass | 331.1312213 |
| Composition | C (54.3%), H (5.47%), Cl (10.68%), N (29.55%) |
| Atom Count | 41 |
| PI | 11.92 |
| Smiles | c12c(nc(nc1Nc1cc(Cl)ccc1)NCCN)n(cn2)CC |
| InChI | 1S/C15H18ClN7/c1-2-23-9-19-12-13(20-11-5-3-4-10(16)8-11)21-15(18-7-6-17)22-14(12)23/h3-5,8-9H,2,6-7,
17H2,1H3,(H2,18,20,21,22) |
| InChIKey | MANPEIPVNZSOJW-UHFFFAOYSA-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 | PKC alpha | CDK1 | ALL |
| Pub Chem Link |
9949448
|
| Drug Bank Link | - |
| ChemSpider Link | 8125059 |
| ChEMBL Link | CHEMBL173647 |
