| General Property |
| Molceule ID (DB) | EGIN0003416 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | 3-(2-chloroethyl)-1-{4-[(3-methylphenyl)amino]quinazolin-6-yl}urea |
| Formula | C18H18ClN5O |
| Mass | 355.821 |
| Exact Mass | 355.1199879 |
| Composition | C (60.76%), H (5.1%), Cl (9.96%), N (19.68%), O (4.5%) |
| Atom Count | 43 |
| PI | 8.66 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)C)NC(=O)NCCCl |
| InChI | 1S/C18H18ClN5O/c1-12-3-2-4-13(9-12)23-17-15-10-14(24-18(25)20-8-7-19)5-6-16(15)21-11-22-17/h2-6,9-11
H,7-8H2,1H3,(H2,20,24,25)(H,21,22,23) |
| InChIKey | ZXLPAHMADMWUCE-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 |
11717370
|
| Drug Bank Link | - |
| ChemSpider Link | 9892091 |
| ChEMBL Link | CHEMBL208240 |
