| General Property |
| Molceule ID (DB) | EGIN0000463 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5q compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-cyclopentylbenzamide |
| Formula | C16H22Cl2N2O |
| Mass | 329.265 |
| Exact Mass | 328.1109188 |
| Composition | C (58.36%), H (6.73%), Cl (21.53%), N (8.51%), O (4.86%) |
| Atom Count | 43 |
| PI | 8.22 |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)NC1CCCC1 |
| InChI | 1S/C16H22Cl2N2O/c17-9-11-20(12-10-18)15-7-5-13(6-8-15)16(21)19-14-3-1-2-4-14/h5-8,14H,1-4,9-12H2,(H,
19,21) |
| InChIKey | YNGWGAYBPCOHHO-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 | 24643876 |
| ChEMBL Link | CHEMBL589503 |
