| General Property |
| Molceule ID (DB) | EGIN0004629 |
| Inhibitor Class | Diphenyl-amine |
| Molecule Name in Refrence Article | 12b |
| IUPAC Name | 4-cyclohexyl-1-{[2-({4-[(4-cyclohexyl-3,5,6-trioxo-1,2,4-triazinan-1-yl)carbonyl]phenyl}amino)phenyl]carbonyl}-1,2,4-triazinane-3,5,6-trione |
| Formula | C32H33N7O8 |
| Mass | 643.6465 |
| Exact Mass | 643.2390611 |
| Composition | C (59.71%), H (5.17%), N (15.23%), O (19.89%) |
| Atom Count | 80 |
| PI | No isoelectric point. |
| Smiles | c1(c(cccc1)Nc1ccc(cc1)C(=O)n1c(=O)c(=O)n(c(=O)[nH]1)C1CCCCC1)C(=O)n1[nH]c(=O)n(c(=O)c1=O)C1CCCCC1 |
| InChI | 1S/C32H33N7O8/c40-25(38-29(44)27(42)36(31(46)34-38)21-9-3-1-4-10-21)19-15-17-20(18-16-19)33-24-14-8-
7-13-23(24)26(41)39-30(45)28(43)37(32(47)35-39)22-11-5-2-6-12-22/h7-8,13-18,21-22,33H,1-6,9-12H2,(H,
34,46)(H,35,47) |
| InChIKey | OCKVGPUEDOLRQZ-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 |
53494909
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
