| General Property |
| Molceule ID (DB) | EGIN0000466 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5t compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-(naphthalen-1-yl)benzamide |
| Formula | C21H20Cl2N2O |
| Mass | 387.302 |
| Exact Mass | 386.0952687 |
| Composition | C (65.12%), H (5.2%), Cl (18.31%), N (7.23%), O (4.13%) |
| Atom Count | 46 |
| PI | 6.12 |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)Nc1cccc2c1cccc2 |
| InChI | 1S/C21H20Cl2N2O/c22-12-14-25(15-13-23)18-10-8-17(9-11-18)21(26)24-20-7-3-5-16-4-1-2-6-19(16)20/h1-11
H,12-15H2,(H,24,26) |
| InChIKey | PKAIPZNLOTUQKE-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 | 24652319 |
| ChEMBL Link | CHEMBL602728 |
