| General Property |
| Molceule ID (DB) | EGIN0003420 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | 3-(2-chloroethyl)-1-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-3-methylurea |
| Formula | C18H17Cl2N5O |
| Mass | 390.266 |
| Exact Mass | 389.0810156 |
| Composition | C (55.4%), H (4.39%), Cl (18.17%), N (17.95%), O (4.1%) |
| Atom Count | 43 |
| PI | 8.58 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)NC(=O)N(CCCl)C |
| InChI | 1S/C18H17Cl2N5O/c1-25(8-7-19)18(26)24-14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(20)9-13/h2-6,
9-11H,7-8H2,1H3,(H,24,26)(H,21,22,23) |
| InChIKey | ZCKFRMIUXBQEAX-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 |
44412181
|
| Drug Bank Link | - |
| ChemSpider Link | 23271376 |
| ChEMBL Link | CHEMBL208144 |
