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 | ![](./image/EGIN0004630.png) | Structure Backbone | ![](./frame/f_EGIN0004630.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 | 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 | - |