| General Property |
| Molceule ID (DB) | EGIN0000458 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5l compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N,N-dibutylbenzamide |
| Formula | C19H30Cl2N2O |
| Mass | 373.36 |
| Exact Mass | 372.173519 |
| Composition | C (61.12%), H (8.1%), Cl (18.99%), N (7.5%), O (4.29%) |
| Atom Count | 54 |
| PI | No isoelectric point. |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)N(CCCC)CCCC |
| InChI | 1S/C19H30Cl2N2O/c1-3-5-13-23(14-6-4-2)19(24)17-7-9-18(10-8-17)22(15-11-20)16-12-21/h7-10H,3-6,11-16H
2,1-2H3 |
| InChIKey | HJTDMSVRZXFXDK-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 | 24643218 |
| ChEMBL Link | CHEMBL589119 |
