General Property |
Molceule ID (DB) | EGIN0000461 |
Inhibitor Class | Benzoic nitrogen mustard derivative |
Molecule Name in Refrence Article | 5o compound |
IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-tert-butylbenzamide |
Formula | C15H22Cl2N2O |
Mass | 317.254 |
Exact Mass | 316.1109188 |
Composition | C (56.79%), H (6.99%), Cl (22.35%), N (8.83%), O (5.04%) |
Atom Count | 42 |
PI | 8.16 |
Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)NC(C)(C)C |
InChI | 1S/C15H22Cl2N2O/c1-15(2,3)18-14(20)12-4-6-13(7-5-12)19(10-8-16)11-9-17/h4-7H,8-11H2,1-3H3,(H,18,20) |
InChIKey | ILJUMURTXHBGOA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000461.png) | Structure Backbone | ![](./frame/f_EGIN0000461.png) |
|
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 | 24643299 |
ChEMBL Link | CHEMBL589259 |