| General Property |
| Molceule ID (DB) | EGIN0000462 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5p compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-dodecylbenzamide |
| Formula | C23H38Cl2N2O |
| Mass | 429.467 |
| Exact Mass | 428.2361193 |
| Composition | C (64.32%), H (8.92%), Cl (16.51%), N (6.52%), O (3.73%) |
| Atom Count | 66 |
| PI | 8.06 |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)NCCCCCCCCCCCC |
| InChI | 1S/C23H38Cl2N2O/c1-2-3-4-5-6-7-8-9-10-11-18-26-23(28)21-12-14-22(15-13-21)27(19-16-24)20-17-25/h12-1
5H,2-11,16-20H2,1H3,(H,26,28) |
| InChIKey | NVXIKQZUYLCXPF-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 | 24645185 |
| ChEMBL Link | CHEMBL590081 |
