| General Property |
| Molceule ID (DB) | EGIN0004222 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 3u compound |
| IUPAC Name | 4-N-(3-bromophenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]pyrido[4,3-d]pyrimidine-4,7-diamine |
| Formula | C21H26BrN7 |
| Mass | 456.382 |
| Exact Mass | 455.1433065 |
| Composition | C (55.27%), H (5.74%), Br (17.51%), N (21.48%) |
| Atom Count | 55 |
| PI | 11.79 |
| Smiles | n1cnc(c2c1cc(nc2)NCCCN1CCN(CC1)C)Nc1cc(ccc1)Br |
| InChI | 1S/C21H26BrN7/c1-28-8-10-29(11-9-28)7-3-6-23-20-13-19-18(14-24-20)21(26-15-25-19)27-17-5-2-4-16(22)1
2-17/h2,4-5,12-15H,3,6-11H2,1H3,(H,23,24)(H,25,26,27) |
| InChIKey | AEPFNBDPODWKEH-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 4485480 |
| ChEMBL Link | CHEMBL340484 |
