| General Property |
| Molceule ID (DB) | EGIN0001746 |
| Inhibitor Class | Purine |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | 2-N-(2-aminoethyl)-9-ethyl-6-N-[3-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-2,6-diamine |
| Formula | C16H20F3N7 |
| Mass | 367.3721 |
| Exact Mass | 367.1732283 |
| Composition | C (52.31%), H (5.49%), F (15.51%), N (26.69%) |
| Atom Count | 46 |
| PI | 12.98 |
| Smiles | c1(nc(nc2c1NCN2CC)NCCN)Nc1cc(ccc1)C(F)(F)F |
| InChI | 1S/C16H20F3N7/c1-2-26-9-22-12-13(24-15(21-7-6-20)25-14(12)26)23-11-5-3-4-10(8-11)16(17,18)19/h3-5,8,
22H,2,6-7,9,20H2,1H3,(H2,21,23,24,25) |
| InChIKey | MBOPWELQAUILOV-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 | CDK1 | PKC alpha | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL173237 |
