| General Property |
| Molceule ID (DB) | EGIN0004221 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 3t compound |
| IUPAC Name | 4-[3-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)propyl]morpholin-4-ium-4-olate |
| Formula | C20H23BrN6O2 |
| Mass | 459.34 |
| Exact Mass | 458.1065867 |
| Composition | C (52.3%), H (5.05%), Br (17.4%), N (18.3%), O (6.97%) |
| Atom Count | 52 |
| PI | 10.05 |
| Smiles | n1cnc(c2c1cc(nc2)NCCC[N+]1(CCOCC1)[O-])Nc1cc(ccc1)Br |
| InChI | 1S/C20H23BrN6O2/c21-15-3-1-4-16(11-15)26-20-17-13-23-19(12-18(17)24-14-25-20)22-5-2-6-27(28)7-9-29-1
0-8-27/h1,3-4,11-14H,2,5-10H2,(H,22,23)(H,24,25,26) |
| InChIKey | NMCVYFXROBUBLX-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 | 4485479 |
| ChEMBL Link | CHEMBL339416 |
