| General Property |
| Molceule ID (DB) | EGIN0001838 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 5b compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-4,6,8,9-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,7,10,12-hexaen-3-amine |
| Formula | C22H15ClFN5O |
| Mass | 419.839 |
| Exact Mass | 419.094916 |
| Composition | C (62.94%), H (3.6%), Cl (8.44%), F (4.53%), N (16.68%), O (3.81%) |
| Atom Count | 45 |
| PI | 8.45 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1cccc(c1)F)Cl)c1n(n2)cccc1 |
| InChI | 1S/C22H15ClFN5O/c23-17-11-16(7-8-19(17)30-12-14-4-3-5-15(24)10-14)27-21-20-18-6-1-2-9-29(18)28-22(20
)26-13-25-21/h1-11,13H,12H2,(H,25,26,27,28) |
| InChIKey | XYKNCRFMAKMJKI-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 | 15993060 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | GSK-3 | VEGFR2 | ALL |
| Pub Chem Link |
11524582
|
| Drug Bank Link | - |
| ChemSpider Link | 9699368 |
| ChEMBL Link | CHEMBL182254 |
