| General Property |
| Molceule ID (DB) | EGIN0000464 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5r compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-[3-(morpholin-4-yl)propyl]benzamide |
| Formula | C18H27Cl2N3O2 |
| Mass | 388.332 |
| Exact Mass | 387.1480325 |
| Composition | C (55.67%), H (7.01%), Cl (18.26%), N (10.82%), O (8.24%) |
| Atom Count | 52 |
| PI | 11.37 |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)NCCCN1CCOCC1 |
| InChI | 1S/C18H27Cl2N3O2/c19-6-10-23(11-7-20)17-4-2-16(3-5-17)18(24)21-8-1-9-22-12-14-25-15-13-22/h2-5H,1,6-
15H2,(H,21,24) |
| InChIKey | ZINSNBBECNZPOC-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 | 24645649 |
| ChEMBL Link | CHEMBL589846 |
