| General Property |
| Molceule ID (DB) | EGIN0000460 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5n compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-butylbenzamide |
| Formula | C15H22Cl2N2O |
| Mass | 317.254 |
| Exact Mass | 316.1109188 |
| Composition | C (56.79%), H (6.99%), Cl (22.35%), N (8.83%), O (5.04%) |
| Atom Count | 42 |
| PI | 8.06 |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)NCCCC |
| InChI | 1S/C15H22Cl2N2O/c1-2-3-10-18-15(20)13-4-6-14(7-5-13)19(11-8-16)12-9-17/h4-7H,2-3,8-12H2,1H3,(H,18,20
) |
| InChIKey | XUVJSTLMTULKRD-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 | 24645017 |
| ChEMBL Link | CHEMBL590083 |
