General Property |
Molceule ID (DB) | EGIN0004612 |
Inhibitor Class | Diphenyl-amine |
Molecule Name in Refrence Article | 15c |
IUPAC Name | N-[(2Z)-4-(4-bromophenyl)-2-(phenylimino)-2,3-dihydro-1,3-thiazol-3-yl]-4-[(2-{[(2Z)-4-(4-bromophenyl)-2-(phenylimino)-2,3-dihydro-1,3-thiazol-3-yl]carbamoyl}phenyl)amino]benzamide |
Formula | C44H31Br2N7O2S2 |
Mass | 913.701 |
Exact Mass | 911.0347399 |
Composition | C (57.84%), H (3.42%), Br (17.49%), N (10.73%), O (3.5%), S (7.02%) |
Atom Count | 88 |
PI | 8.35 |
Smiles | c1c(ccc(c1)Nc1ccccc1C(=O)Nn1/c(=N/c2ccccc2)/scc1c1ccc(cc1)Br)C(=O)Nn1/c(=N/c2ccccc2)/scc1c1ccc(cc1)Br |
InChI | 1S/C44H31Br2N7O2S2/c45-32-21-15-29(16-22-32)39-27-56-43(48-34-9-3-1-4-10-34)52(39)50-41(54)31-19-25-
36(26-20-31)47-38-14-8-7-13-37(38)42(55)51-53-40(30-17-23-33(46)24-18-30)28-57-44(53)49-35-11-5-2-6-
12-35/h1-28,47H,(H,50,54)(H,51,55)/b48-43-,49-44- |
InChIKey | PTKHGELFCNMFCB-GXDDXODVSA-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 |
-
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |