| General Property |
| Molceule ID (DB) | EGIN0000688 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 7i compound |
| IUPAC Name | 4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine |
| Formula | C21H18BrN5O |
| Mass | 436.305 |
| Exact Mass | 435.0694729 |
| Composition | C (57.81%), H (4.16%), Br (18.31%), N (16.05%), O (3.67%) |
| Atom Count | 46 |
| PI | 10.05 |
| Smiles | c1(c2c(ncn1)cnc(c2)NCc1ccc(cc1)OC)Nc1cc(Br)ccc1 |
| InChI | 1S/C21H18BrN5O/c1-28-17-7-5-14(6-8-17)11-23-20-10-18-19(12-24-20)25-13-26-21(18)27-16-4-2-3-15(22)9-
16/h2-10,12-13H,11H2,1H3,(H,23,24)(H,25,26,27) |
| InChIKey | CXLKPXBPOPTFNY-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 | 8627606 |
| 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 |
5328263
|
| Drug Bank Link | - |
| ChemSpider Link | 4485428 |
| ChEMBL Link | CHEMBL53299 |
