| General Property |
| Molceule ID (DB) | EGIN0001837 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 5a compound |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-4,6,8,9-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,7,10,12-hexaen-3-amine |
| Formula | C15H9ClFN5 |
| Mass | 313.717 |
| Exact Mass | 313.0530512 |
| Composition | C (57.43%), H (2.89%), Cl (11.3%), F (6.06%), N (22.32%) |
| Atom Count | 31 |
| PI | 8.27 |
| Smiles | N(c1ncnc2nn3c(c12)cccc3)c1cc(c(cc1)F)Cl |
| InChI | 1S/C15H9ClFN5/c16-10-7-9(4-5-11(10)17)20-14-13-12-3-1-2-6-22(12)21-15(13)19-8-18-14/h1-8H,(H,18,19,2
0,21) |
| InChIKey | KHIJZOQIPUVEBP-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 |
11681189
|
| Drug Bank Link | - |
| ChemSpider Link | 9855917 |
| ChEMBL Link | CHEMBL181275 |
