| General Property |
| Molceule ID (DB) | EGIN0000454 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5h compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-(4-chlorophenyl)benzamide |
| Formula | C17H17Cl3N2O |
| Mass | 371.689 |
| Exact Mass | 370.0406463 |
| Composition | C (54.93%), H (4.61%), Cl (28.62%), N (7.54%), O (4.3%) |
| Atom Count | 40 |
| PI | 6.15 |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)Nc1ccc(cc1)Cl |
| InChI | 1S/C17H17Cl3N2O/c18-9-11-22(12-10-19)16-7-1-13(2-8-16)17(23)21-15-5-3-14(20)4-6-15/h1-8H,9-12H2,(H,2
1,23) |
| InChIKey | RUZLWGNXOCCORA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 24645005 |
| ChEMBL Link | CHEMBL589830 |
