| General Property |
| Molceule ID (DB) | EGIN0003664 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 5i compound |
| IUPAC Name | 4-N-(3-bromophenyl)-6-N-[3-(dimethylamino)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine |
| Formula | C18H21BrN6 |
| Mass | 401.304 |
| Exact Mass | 400.1011073 |
| Composition | C (53.87%), H (5.27%), Br (19.91%), N (20.94%) |
| Atom Count | 46 |
| PI | 12.22 |
| Smiles | c1(c2c(ncn1)cnc(c2)NCCCN(C)C)Nc1cc(Br)ccc1 |
| InChI | 1S/C18H21BrN6/c1-25(2)8-4-7-20-17-10-15-16(11-21-17)22-12-23-18(15)24-14-6-3-5-13(19)9-14/h3,5-6,9-1
2H,4,7-8H2,1-2H3,(H,20,21)(H,22,23,24) |
| InChIKey | WBGYUVVZVWPMCL-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 |
| 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 | 4485520 |
| ChEMBL Link | CHEMBL166358 |
