General Property |
Molceule ID (DB) | EGIN0004633 |
Inhibitor Class | Diphenyl-amine |
Molecule Name in Refrence Article | 11b |
IUPAC Name | N-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-2-({4-[(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)carbamoyl]phenyl}amino)benzamide |
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 | 5.4 |
Smiles | c1(c(cccc1)Nc1ccc(cc1)C(=O)NN1C(=O)N(C(=O)C1=O)C1CCCCC1)C(=O)NN1C(=O)C(=O)N(C1=O)C1CCCCC1 |
InChI | 1S/C32H33N7O8/c40-25(34-38-29(44)27(42)36(31(38)46)21-9-3-1-4-10-21)19-15-17-20(18-16-19)33-24-14-8-
7-13-23(24)26(41)35-39-30(45)28(43)37(32(39)47)22-11-5-2-6-12-22/h7-8,13-18,21-22,33H,1-6,9-12H2,(H,
34,40)(H,35,41) |
InChIKey | YDAMKZFQAHUFEU-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 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 |
53496891
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |