| General Property |
| Molceule ID (DB) | EGIN0003423 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 20 compound |
| IUPAC Name | 3-(2-chloroethyl)-1-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-3-nitrosourea |
| 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 | 7.87 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)NC(=O)N(N=O)CCCl |
| InChI | 1S/C17H14Cl2N6O2/c18-6-7-25(24-27)17(26)23-13-4-5-15-14(9-13)16(21-10-20-15)22-12-3-1-2-11(19)8-12/h
1-5,8-10H,6-7H2,(H,23,26)(H,20,21,22) |
| InChIKey | UERRLLRAXBKLET-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 | 16759097 |
| 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 |
11589515
|
| Drug Bank Link | - |
| ChemSpider Link | 9764279 |
| ChEMBL Link | CHEMBL210659 |
