General Property |
Molceule ID (DB) | EGIN0002387 |
Inhibitor Class | Imidazo-thiazole |
Molecule Name in Refrence Article | 16 compound |
IUPAC Name | 2,6-difluoro-N-{3-[5-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}benzamide |
Formula | C32H25F2N7O2S |
Mass | 609.648 |
Exact Mass | 609.1758502 |
Composition | C (63.04%), H (4.13%), F (6.23%), N (16.08%), O (5.25%), S (5.26%) |
Atom Count | 69 |
PI | 6.39 |
Smiles | c12nc(c(n1ccs2)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1)c1cc(ccc1)NC(=O)c1c(cccc1F)F |
InChI | 1S/C32H25F2N7O2S/c33-24-5-2-6-25(34)27(24)30(42)36-22-4-1-3-20(19-22)28-29(41-15-18-44-32(41)39-28)2
6-11-12-35-31(38-26)37-21-7-9-23(10-8-21)40-13-16-43-17-14-40/h1-12,15,18-19H,13-14,16-17H2,(H,36,42
)(H,35,37,38) |
InChIKey | HYNCHUCDOVAZSU-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 | |
Pub Chem Link |
46886314
|
Drug Bank Link | - |
ChemSpider Link | 24676485 |
ChEMBL Link | CHEMBL1090351 |