| General Property |
| Molceule ID (DB) | EGIN0003419 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | 3-(2-chloroethyl)-3-methyl-1-{4-[(3-methylphenyl)amino]quinazolin-6-yl}urea |
| Formula | C19H20ClN5O |
| Mass | 369.848 |
| Exact Mass | 369.135638 |
| Composition | C (61.7%), H (5.45%), Cl (9.59%), N (18.94%), O (4.33%) |
| Atom Count | 46 |
| PI | 8.59 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)C)NC(=O)N(CCCl)C |
| InChI | 1S/C19H20ClN5O/c1-13-4-3-5-14(10-13)23-18-16-11-15(6-7-17(16)21-12-22-18)24-19(26)25(2)9-8-20/h3-7,1
0-12H,8-9H2,1-2H3,(H,24,26)(H,21,22,23) |
| InChIKey | YJPDSCHNEKNQAA-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 |
44412177
|
| Drug Bank Link | - |
| ChemSpider Link | 23271370 |
| ChEMBL Link | CHEMBL208849 |
