| General Property |
| Molceule ID (DB) | EGIN0004237 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 4y compound |
| IUPAC Name | 7-N-[3-(1H-imidazol-1-yl)propyl]-4-N-(3-methylphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine |
| Formula | C20H21N7 |
| Mass | 359.4276 |
| Exact Mass | 359.1858437 |
| Composition | C (66.83%), H (5.89%), N (27.28%) |
| Atom Count | 48 |
| PI | 11.15 |
| Smiles | n1cnc(c2c1cc(nc2)NCCCn1cncc1)Nc1cc(ccc1)C |
| InChI | 1S/C20H21N7/c1-15-4-2-5-16(10-15)26-20-17-12-23-19(11-18(17)24-13-25-20)22-6-3-8-27-9-7-21-14-27/h2,
4-5,7,9-14H,3,6,8H2,1H3,(H,22,23)(H,24,25,26) |
| InChIKey | OKJBKEUQKDDCKF-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 |
5328330
|
| Drug Bank Link | - |
| ChemSpider Link | 4485495 |
| ChEMBL Link | CHEMBL340898 |
