| General Property |
| Molceule ID (DB) | EGIN0004220 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 3s compound |
| IUPAC Name | 4-N-(3-bromophenyl)-7-N-[4-(morpholin-4-yl)butyl]pyrido[4,3-d]pyrimidine-4,7-diamine |
| Formula | C21H25BrN6O |
| Mass | 457.367 |
| Exact Mass | 456.1273221 |
| Composition | C (55.15%), H (5.51%), Br (17.47%), N (18.37%), O (3.5%) |
| Atom Count | 54 |
| PI | 11.38 |
| Smiles | n1cnc(c2c1cc(nc2)NCCCCN1CCOCC1)Nc1cc(ccc1)Br |
| InChI | 1S/C21H25BrN6O/c22-16-4-3-5-17(12-16)27-21-18-14-24-20(13-19(18)25-15-26-21)23-6-1-2-7-28-8-10-29-11
-9-28/h3-5,12-15H,1-2,6-11H2,(H,23,24)(H,25,26,27) |
| InChIKey | LGQGASCJEHGWJL-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 | 9397172 |
| 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 | 4485478 |
| ChEMBL Link | CHEMBL126384 |
