| General Property |
| Molceule ID (DB) | EGIN0003417 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | 3-(2-chloroethyl)-1-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}urea |
| Formula | C17H15Cl2N5O |
| Mass | 376.24 |
| Exact Mass | 375.0653655 |
| Composition | C (54.27%), H (4.02%), Cl (18.85%), N (18.61%), O (4.25%) |
| Atom Count | 40 |
| PI | 8.65 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)NC(=O)NCCCl |
| InChI | 1S/C17H15Cl2N5O/c18-6-7-20-17(25)24-13-4-5-15-14(9-13)16(22-10-21-15)23-12-3-1-2-11(19)8-12/h1-5,8-1
0H,6-7H2,(H2,20,24,25)(H,21,22,23) |
| InChIKey | YGKHBSOOIDIVBR-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 |
11675213
|
| Drug Bank Link | - |
| ChemSpider Link | 9849942 |
| ChEMBL Link | CHEMBL210444 |
