| General Property |
| Molceule ID (DB) | EGIN0003424 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 21 compound |
| IUPAC Name | 1-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(2-chloroethyl)-3-nitrosourea |
| Formula | C17H14BrClN6O2 |
| Mass | 449.689 |
| Exact Mass | 448.0050141 |
| Composition | C (45.41%), H (3.14%), Br (17.77%), Cl (7.88%), N (18.69%), O (7.12%) |
| Atom Count | 41 |
| PI | 7.87 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)NC(=O)N(N=O)CCCl |
| InChI | 1S/C17H14BrClN6O2/c18-11-2-1-3-12(8-11)22-16-14-9-13(4-5-15(14)20-10-21-16)23-17(26)25(24-27)7-6-19/
h1-5,8-10H,6-7H2,(H,23,26)(H,20,21,22) |
| InChIKey | XHZBOSUWEVHTOZ-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 |
11683816
|
| Drug Bank Link | - |
| ChemSpider Link | 9858544 |
| ChEMBL Link | CHEMBL210660 |
