| General Property |
| Molceule ID (DB) | EGIN0000461 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5o compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-tert-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 | 8.16 |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)NC(C)(C)C |
| InChI | 1S/C15H22Cl2N2O/c1-15(2,3)18-14(20)12-4-6-13(7-5-12)19(10-8-16)11-9-17/h4-7H,8-11H2,1-3H3,(H,18,20) |
| InChIKey | ILJUMURTXHBGOA-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| 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 | 24643299 |
| ChEMBL Link | CHEMBL589259 |
