| General Property |
| Molceule ID (DB) | EGIN0003657 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 5b compound |
| IUPAC Name | 4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine |
| Formula | C14H12BrN5 |
| Mass | 330.183 |
| Exact Mass | 329.0276081 |
| Composition | C (50.93%), H (3.66%), Br (24.2%), N (21.21%) |
| Atom Count | 32 |
| PI | 10.06 |
| Smiles | c1(c2c(ncn1)cnc(c2)NC)Nc1cc(Br)ccc1 |
| InChI | 1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,
19,20) |
| InChIKey | KFHMLBXBRCITHF-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 | 9513602 | 10639288 | |
| 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 |
4707
|
| Drug Bank Link | - |
| ChemSpider Link | 4545 |
| ChEMBL Link | CHEMBL53753 |
