| General Property |
| Molceule ID (DB) | EGIN0000449 |
| Inhibitor Class | Benzoic nitrogen mustard derivative |
| Molecule Name in Refrence Article | 5c compound |
| IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-[4-(propan-2-yl)phenyl]benzamide |
| Formula | C20H24Cl2N2O |
| Mass | 379.323 |
| Exact Mass | 378.1265688 |
| Composition | C (63.33%), H (6.38%), Cl (18.69%), N (7.39%), O (4.22%) |
| Atom Count | 49 |
| PI | 6.44 |
| Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)Nc1ccc(cc1)C(C)C |
| InChI | 1S/C20H24Cl2N2O/c1-15(2)16-3-7-18(8-4-16)23-20(25)17-5-9-19(10-6-17)24(13-11-21)14-12-22/h3-10,15H,1
1-14H2,1-2H3,(H,23,25) |
| InChIKey | QRMCZLGDRXISCZ-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 | 24654723 |
| ChEMBL Link | CHEMBL589589 |
