| General Property |
| Molceule ID (DB) | EGIN0004630 |
| Inhibitor Class | Diphenyl-amine |
| Molecule Name in Refrence Article | 12a |
| IUPAC Name | 4-(4-chlorophenyl)-1-({2-[(4-{[4-(4-chlorophenyl)-3,5,6-trioxo-1,2,4-triazinan-1-yl]carbonyl}phenyl)amino]phenyl}carbonyl)-1,2,4-triazinane-3,5,6-trione |
| Formula | C32H19Cl2N7O8 |
| Mass | 700.441 |
| Exact Mass | 699.067216 |
| Composition | C (54.87%), H (2.73%), Cl (10.12%), N (14%), O (18.27%) |
| Atom Count | 68 |
| PI | 4.2 |
| Smiles | c1(c(cccc1)Nc1ccc(cc1)C(=O)n1c(=O)c(=O)n(c(=O)[nH]1)c1ccc(cc1)Cl)C(=O)n1[nH]c(=O)n(c(=O)c1=O)c1ccc(cc1)Cl |
| InChI | 1S/C32H19Cl2N7O8/c33-18-7-13-21(14-8-18)38-27(44)29(46)40(36-31(38)48)25(42)17-5-11-20(12-6-17)35-24
-4-2-1-3-23(24)26(43)41-30(47)28(45)39(32(49)37-41)22-15-9-19(34)10-16-22/h1-16,35H,(H,36,48)(H,37,4
9) |
| InChIKey | FCBXNSQXMNLYQV-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 | 21881256 |
| 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 |
53497024
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
