| General Property |
| Molceule ID (DB) | EGIN0002397 |
| Inhibitor Class | Imidazo-thiazole |
| Molecule Name in Refrence Article | 26 compound |
| IUPAC Name | N-{3-[5-(2-{[3-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}-2-phenylacetamide |
| Formula | C33H29N7O2S |
| Mass | 587.694 |
| Exact Mass | 587.2103439 |
| Composition | C (67.44%), H (4.97%), N (16.68%), O (5.44%), S (5.46%) |
| Atom Count | 72 |
| PI | 7.96 |
| Smiles | c1ccc(cc1NC(=O)Cc1ccccc1)c1c(n2c(n1)scc2)c1ccnc(n1)Nc1cccc(c1)N1CCOCC1 |
| InChI | 1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13
-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,4
1)(H,34,36,37) |
| InChIKey | XKZQZMSAWVDRSP-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 |
46886323
|
| Drug Bank Link | - |
| ChemSpider Link | 24675972 |
| ChEMBL Link | CHEMBL1090360 |
