| General Property |
| Molceule ID (DB) | EGIN0003422 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 19 compound |
| IUPAC Name | 3-(2-chloroethyl)-1-{4-[(3-methylphenyl)amino]quinazolin-6-yl}-3-nitrosourea |
| Formula | C18H17ClN6O2 |
| Mass | 384.82 |
| Exact Mass | 384.1101515 |
| Composition | C (56.18%), H (4.45%), Cl (9.21%), N (21.84%), O (8.32%) |
| Atom Count | 44 |
| PI | 7.87 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)C)NC(=O)N(N=O)CCCl |
| InChI | 1S/C18H17ClN6O2/c1-12-3-2-4-13(9-12)22-17-15-10-14(5-6-16(15)20-11-21-17)23-18(26)25(24-27)8-7-19/h2
-6,9-11H,7-8H2,1H3,(H,23,26)(H,20,21,22) |
| InChIKey | ONOZVTJDHKAIOL-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 |
10156890
|
| Drug Bank Link | - |
| ChemSpider Link | 8332398 |
| ChEMBL Link | CHEMBL210502 |
