| General Property |
| Molceule ID (DB) | EGIN0000456 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5j compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-(4-nitrophenyl)benzamide |
| Formula | C17H17Cl2N3O3 |
| Mass | 382.241 |
| Exact Mass | 381.0646968 |
| Composition | C (53.42%), H (4.48%), Cl (18.55%), N (10.99%), O (12.56%) |
| Atom Count | 42 |
| PI | 5.66 |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)Nc1ccc(cc1)N(=O)=O |
| InChI | 1S/C17H17Cl2N3O3/c18-9-11-21(12-10-19)15-5-1-13(2-6-15)17(23)20-14-3-7-16(8-4-14)22(24)25/h1-8H,9-12
H2,(H,20,23) |
| InChIKey | PWZYWYPWXWMXFF-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 | 24645007 |
| ChEMBL Link | CHEMBL589832 |
