| General Property |
| Molceule ID (DB) | EGIN0001839 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 5c compound |
| IUPAC Name | N-[4-(benzyloxy)-3-chlorophenyl]-4,6,8,9-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,7,10,12-hexaen-3-amine |
| Formula | C22H16ClN5O |
| Mass | 401.848 |
| Exact Mass | 401.1043379 |
| Composition | C (65.76%), H (4.01%), Cl (8.82%), N (17.43%), O (3.98%) |
| Atom Count | 45 |
| PI | 8.45 |
| Smiles | n1cnc2c(c1Nc1cc(c(cc1)OCc1ccccc1)Cl)c1n(n2)cccc1 |
| InChI | 1S/C22H16ClN5O/c23-17-12-16(9-10-19(17)29-13-15-6-2-1-3-7-15)26-21-20-18-8-4-5-11-28(18)27-22(20)25-
14-24-21/h1-12,14H,13H2,(H,24,25,26,27) |
| InChIKey | SXKKJDFMAPGQSG-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 |
11625514
|
| Drug Bank Link | - |
| ChemSpider Link | 9800261 |
| ChEMBL Link | CHEMBL181742 |
