| General Property |
| Molceule ID (DB) | EGIN0003426 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | 3-(2-chloroethyl)-1-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-1-methyl-3-nitrosourea |
| Formula | C18H16Cl2N6O2 |
| Mass | 419.265 |
| Exact Mass | 418.0711792 |
| Composition | C (51.56%), H (3.85%), Cl (16.91%), N (20.04%), O (7.63%) |
| Atom Count | 44 |
| PI | 9.7 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)N(C(=O)N(N=O)CCCl)C |
| InChI | 1S/C18H16Cl2N6O2/c1-25(18(27)26(24-28)8-7-19)14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(20)9-1
3/h2-6,9-11H,7-8H2,1H3,(H,21,22,23) |
| InChIKey | GBANDHWBCXOTHA-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 |
11683171
|
| Drug Bank Link | - |
| ChemSpider Link | 9857899 |
| ChEMBL Link | CHEMBL210378 |
