| General Property |
| Molceule ID (DB) | EGIN0004235 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 4r compound |
| IUPAC Name | 4-N-(3-methylphenyl)-7-N-[3-(morpholin-4-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine |
| Formula | C21H26N6O |
| Mass | 378.4707 |
| Exact Mass | 378.2168095 |
| Composition | C (66.64%), H (6.92%), N (22.21%), O (4.23%) |
| Atom Count | 54 |
| PI | 11.27 |
| Smiles | n1cnc(c2c1cc(nc2)NCCCN1CCOCC1)Nc1cc(ccc1)C |
| InChI | 1S/C21H26N6O/c1-16-4-2-5-17(12-16)26-21-18-14-23-20(13-19(18)24-15-25-21)22-6-3-7-27-8-10-28-11-9-27
/h2,4-5,12-15H,3,6-11H2,1H3,(H,22,23)(H,24,25,26) |
| InChIKey | YBNNPKWJNJBQNZ-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 4485493 |
| ChEMBL Link | CHEMBL129509 |
