General Property |
Molceule ID (DB) | EGIN0002386 |
Inhibitor Class | Imidazo-thiazole |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | N-{6-[3-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl}benzamide |
Formula | C32H27N7O2S |
Mass | 573.667 |
Exact Mass | 573.1946938 |
Composition | C (67%), H (4.74%), N (17.09%), O (5.58%), S (5.59%) |
Atom Count | 69 |
PI | 6.94 |
Smiles | n1c(c(n2c1scc2)NC(=O)c1ccccc1)c1cc(ccc1)c1nc(ncc1)Nc1ccc(cc1)N1CCOCC1 |
InChI | 1S/C32H27N7O2S/c40-30(22-5-2-1-3-6-22)37-29-28(36-32-39(29)17-20-42-32)24-8-4-7-23(21-24)27-13-14-33
-31(35-27)34-25-9-11-26(12-10-25)38-15-18-41-19-16-38/h1-14,17,20-21H,15-16,18-19H2,(H,37,40)(H,33,3
4,35) |
InChIKey | IKIFEXXMUCZWEG-UHFFFAOYSA-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 | 20346655 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | IGF1R | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |