| General Property |
| Molceule ID (DB) | EGIN0000668 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 6i compound |
| IUPAC Name | 8-N-(3-methylphenyl)-2-N-[2-(pyrrolidin-1-yl)ethyl]-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine |
| Formula | C19H23N7 |
| Mass | 349.4328 |
| Exact Mass | 349.2014938 |
| Composition | C (65.31%), H (6.63%), N (28.06%) |
| Atom Count | 49 |
| PI | 11.28 |
| Smiles | c12c(cnc(n1)NCCN1CCCC1)ncnc2Nc1cccc(c1)C |
| InChI | 1S/C19H23N7/c1-14-5-4-6-15(11-14)24-18-17-16(22-13-23-18)12-21-19(25-17)20-7-10-26-8-2-3-9-26/h4-6,1
1-13H,2-3,7-10H2,1H3,(H,20,21,25)(H,22,23,24) |
| InChIKey | BZXGKFITGKJJKL-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 | 9191958 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL416307 |
