| General Property |
| Molceule ID (DB) | EGIN0002328 |
| Inhibitor Class | Triazene |
| Molecule Name in Refrence Article | 6 (ZRL4) |
| IUPAC Name | (6E)-6-N-({[(chloromethoxy)carbonyl](methyl)amino}imino)-4-N-(3-chlorophenyl)quinazoline-4,6-diamine |
| Formula | C17H14Cl2N6O2 |
| Mass | 405.238 |
| Exact Mass | 404.0555291 |
| Composition | C (50.39%), H (3.48%), Cl (17.5%), N (20.74%), O (7.9%) |
| Atom Count | 41 |
| PI | 9.03 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/N(C(=O)OCCl)C |
| InChI | 1S/C17H14Cl2N6O2/c1-25(17(26)27-9-18)24-23-13-5-6-15-14(8-13)16(21-10-20-15)22-12-4-2-3-11(19)7-12/h
2-8,10H,9H2,1H3,(H,20,21,22)/b24-23+ |
| InChIKey | CEJANPMZSKHVCI-WCWDXBQESA-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 | 19665377 |
| 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 |
12643540
|
| Drug Bank Link | - |
| ChemSpider Link | 24641520 |
| ChEMBL Link | CHEMBL583683 |
