| General Property |
| Molceule ID (DB) | EGIN0004785 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 12(Q:3,X:E) |
| IUPAC Name | 4-N-(2-benzyl-1H-1,3-benzodiazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine |
| Formula | C23H21N7 |
| Mass | 395.4597 |
| Exact Mass | 395.1858437 |
| Composition | C (69.85%), H (5.35%), N (24.79%) |
| Atom Count | 51 |
| PI | 9.9 |
| Smiles | c1c(ncc2c1c(ncn2)Nc1ccc2[nH]c(nc2c1)Cc1ccccc1)N(C)C |
| InChI | 1S/C23H21N7/c1-30(2)22-12-17-20(13-24-22)25-14-26-23(17)27-16-8-9-18-19(11-16)29-21(28-18)10-15-6-4-
3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,28,29)(H,25,26,27) |
| InChIKey | RCDUEGIHNAMABT-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 | 11378364 |
| 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 |
22727427
|
| Drug Bank Link | - |
| ChemSpider Link | 11600715 |
| ChEMBL Link | CHEMBL531804 |
