General Property |
Molceule ID (DB) | EGIN0004618 |
Inhibitor Class | Diphenyl-amine |
Molecule Name in Refrence Article | 14c |
IUPAC Name | N-[(2Z)-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]-4-[(2-{[(2Z)-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]carbamoyl}phenyl)amino]benzamide |
Formula | C32H25N7O4S2 |
Mass | 635.715 |
Exact Mass | 635.1409437 |
Composition | C (60.46%), H (3.96%), N (15.42%), O (10.07%), S (10.09%) |
Atom Count | 70 |
PI | 6.24 |
Smiles | c1cc(ccc1Nc1c(cccc1)C(=O)NN1C(=O)CS/C/1=Nc1ccccc1)C(=O)NN1/C(=N/c2ccccc2)/SCC1=O |
InChI | 1S/C32H25N7O4S2/c40-27-19-44-31(34-22-9-3-1-4-10-22)38(27)36-29(42)21-15-17-24(18-16-21)33-26-14-8-7
-13-25(26)30(43)37-39-28(41)20-45-32(39)35-23-11-5-2-6-12-23/h1-18,33H,19-20H2,(H,36,42)(H,37,43)/b3
4-31-,35-32- |
InChIKey | WDZGXKVABJHQAS-CQIJAVGQSA-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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |