| General Property |
| Molceule ID (DB) | EGIN0000457 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5k compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N,N-dipropylbenzamide |
| Formula | C17H26Cl2N2O |
| Mass | 345.307 |
| Exact Mass | 344.1422189 |
| Composition | C (59.13%), H (7.59%), Cl (20.53%), N (8.11%), O (4.63%) |
| Atom Count | 48 |
| PI | No isoelectric point |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)N(CCC)CCC |
| InChI | 1S/C17H26Cl2N2O/c1-3-11-21(12-4-2)17(22)15-5-7-16(8-6-15)20(13-9-18)14-10-19/h5-8H,3-4,9-14H2,1-2H3 |
| InChIKey | QFWVLMXFGQNABU-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 | 24652844 |
| ChEMBL Link | CHEMBL602645 |
