General Property |
Molceule ID (DB) | EGIN0004621 |
Inhibitor Class | Diphenyl-amine |
Molecule Name in Refrence Article | 14a |
IUPAC Name | N-[(2Z)-2-(ethylimino)-4-oxo-1,3-thiazolidin-3-yl]-4-[(2-{[(2Z)-2-(ethylimino)-4-oxo-1,3-thiazolidin-3-yl]carbamoyl}phenyl)amino]benzamide |
Formula | C24H25N7O4S2 |
Mass | 539.63 |
Exact Mass | 539.1409437 |
Composition | C (53.42%), H (4.67%), N (18.17%), O (11.86%), S (11.88%) |
Atom Count | 62 |
PI | 4.35 |
Smiles | c1cc(ccc1Nc1c(cccc1)C(=O)NN1C(=O)CS/C/1=NCC)C(=O)NN1/C(=N/CC)/SCC1=O |
InChI | 1S/C24H25N7O4S2/c1-3-25-23-30(19(32)13-36-23)28-21(34)15-9-11-16(12-10-15)27-18-8-6-5-7-17(18)22(35)
29-31-20(33)14-37-24(31)26-4-2/h5-12,27H,3-4,13-14H2,1-2H3,(H,28,34)(H,29,35)/b25-23-,26-24- |
InChIKey | ITEJXVATGIRROZ-YPAXQUSRSA-N |
2D Structure | ![](./image/EGIN0004621.png) | Structure Backbone | ![](./frame/f_EGIN0004621.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 | 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 |
12545994
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |