| General Property |
| Molceule ID (DB) | EGIN0002394 |
| Inhibitor Class | Imidazo-thiazole |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | N-(3-{5-[2-({4-[2-(dimethylamino)ethyl]phenyl}amino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2,6-difluorobenzamide |
| Formula | C32H27F2N7OS |
| Mass | 595.665 |
| Exact Mass | 595.1965856 |
| Composition | C (64.52%), H (4.57%), F (6.38%), N (16.46%), O (2.69%), S (5.38%) |
| Atom Count | 70 |
| PI | 9.47 |
| Smiles | c1ccc(cc1NC(=O)c1c(cccc1F)F)c1c(n2c(n1)scc2)c1ccnc(n1)Nc1ccc(cc1)CCN(C)C |
| InChI | 1S/C32H27F2N7OS/c1-40(2)16-14-20-9-11-22(12-10-20)37-31-35-15-13-26(38-31)29-28(39-32-41(29)17-18-43
-32)21-5-3-6-23(19-21)36-30(42)27-24(33)7-4-8-25(27)34/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,42)(H,35,
37,38) |
| InChIKey | CDIOXDOXJQDENS-UHFFFAOYSA-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 | 20346655 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | IGF1R | ALL |
| Pub Chem Link |
46865992
|
| Drug Bank Link | - |
| ChemSpider Link | 24669934 |
| ChEMBL Link | CHEMBL1090357 |
