| General Property |
| Molceule ID (DB) | EGIN0000447 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5a compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-(4-methylphenyl)benzamide |
| Formula | C18H20Cl2N2O |
| Mass | 351.27 |
| Exact Mass | 350.0952687 |
| Composition | C (61.55%), H (5.74%), Cl (20.19%), N (7.97%), O (4.55%) |
| Atom Count | 43 |
| PI | 6.46 |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)Nc1ccc(cc1)C |
| InChI | 1S/C18H20Cl2N2O/c1-14-2-6-16(7-3-14)21-18(23)15-4-8-17(9-5-15)22(12-10-19)13-11-20/h2-9H,10-13H2,1H3
,(H,21,23) |
| InChIKey | YUHSPIYJWBBMHU-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 | 24651751 |
| ChEMBL Link | CHEMBL601040 |
