General Property |
Molceule ID (DB) | EGIN0000452 |
Inhibitor Class | Benzoic nitrogen mustard derivative |
Molecule Name in Refrence Article | 5f compound |
IUPAC Name | 4-[bis(2-chloroethyl)amino]-N-(2-bromophenyl)benzamide |
Formula | C17H17BrCl2N2O |
Mass | 416.14 |
Exact Mass | 413.9901312 |
Composition | C (49.07%), H (4.12%), Br (19.2%), Cl (17.04%), N (6.73%), O (3.84%) |
Atom Count | 40 |
PI | 5.85 |
Smiles | c1cc(ccc1N(CCCl)CCCl)C(=O)Nc1ccccc1Br |
InChI | 1S/C17H17BrCl2N2O/c18-15-3-1-2-4-16(15)21-17(23)13-5-7-14(8-6-13)22(11-9-19)12-10-20/h1-8H,9-12H2,(H
,21,23) |
InChIKey | CQQNFOOXUBFINM-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000452.png) | Structure Backbone | ![](./frame/f_EGIN0000452.png) |
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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 | 24654059 |
ChEMBL Link | CHEMBL604672 |