| General Property |
| Molceule ID (DB) | EGIN0003459 |
| Inhibitor Class | Diazepine |
| Molecule Name in Refrence Article | 3a compound |
| IUPAC Name | 9-(2-chlorophenyl)-6-methyl-12-nitro-2,4,5,8-tetraazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaene |
| Formula | C17H12ClN5O2 |
| Mass | 353.762 |
| Exact Mass | 353.0679524 |
| Composition | C (57.72%), H (3.42%), Cl (10.02%), N (19.8%), O (9.05%) |
| Atom Count | 37 |
| PI | 7.07 |
| Smiles | [nH]1c2c(c(nc3c1n[nH]c3C)c1ccccc1Cl)cc(cc2)[N+](=O)[O-] |
| InChI | 1S/C17H12ClN5O2/c1-9-15-17(22-21-9)19-14-7-6-10(23(24)25)8-12(14)16(20-15)11-4-2-3-5-13(11)18/h2-8H,
1H3,(H2,19,21,22) |
| InChIKey | UVLBAPBHAHFJSY-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 | 20832307 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Src | FGFr | CDK4 | CDK1 | CDK2 | FAK | KDR | PDGFr | ALL |
| Pub Chem Link |
9884915
|
| Drug Bank Link | - |
| ChemSpider Link | 8060589 |
| ChEMBL Link | CHEMBL1258821 |
