| General Property |
| Molceule ID (DB) | EGIN0002399 |
| Inhibitor Class | Imidazo-thiazole |
| Molecule Name in Refrence Article | 28 compound |
| IUPAC Name | N-{3-[5-(2-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}-2-phenylacetamide |
| Formula | C35H34N8OS |
| Mass | 614.762 |
| Exact Mass | 614.2576284 |
| Composition | C (68.38%), H (5.57%), N (18.23%), O (2.6%), S (5.22%) |
| Atom Count | 79 |
| PI | 10.93 |
| Smiles | N(C(=O)Cc1ccccc1)c1cccc(c1)c1c(n2c(n1)scc2)c1ccnc(n1)Nc1ccc(cc1)N1CCN(CC1)CC |
| InChI | 1S/C35H34N8OS/c1-2-41-17-19-42(20-18-41)29-13-11-27(12-14-29)38-34-36-16-15-30(39-34)33-32(40-35-43(
33)21-22-45-35)26-9-6-10-28(24-26)37-31(44)23-25-7-4-3-5-8-25/h3-16,21-22,24H,2,17-20,23H2,1H3,(H,37
,44)(H,36,38,39) |
| InChIKey | MBYBHGUQPPLBRD-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 |
46886325
|
| Drug Bank Link | - |
| ChemSpider Link | 24675973 |
| ChEMBL Link | CHEMBL1090362 |
