| General Property |
| Molceule ID (DB) | EGIN0000455 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5i compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-(4-bromophenyl)benzamide |
| Formula | C17H17BrCl2N2O |
| Mass | 416.14 |
| Exact Mass | 413.9901312 |
| Composition | C (49.07%), H (4.12%), Br (19.2%), Cl (17.04%), N (6.73%), O (3.84%) |
| Atom Count | 40 |
| PI | 6.2 |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)Nc1ccc(cc1)Br |
| InChI | 1S/C17H17BrCl2N2O/c18-14-3-5-15(6-4-14)21-17(23)13-1-7-16(8-2-13)22(11-9-19)12-10-20/h1-8H,9-12H2,(H
,21,23) |
| InChIKey | BLKHBMPRDHTKGF-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 | 20005116 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 24645006 |
| ChEMBL Link | CHEMBL589831 |
