General Property |
Molceule ID (DB) | EGIN0002384 |
Inhibitor Class | Imidazo-thiazole |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | N-(3-{5-[2-(phenylamino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)benzamide |
Formula | C28H20N6OS |
Mass | 488.563 |
Exact Mass | 488.14193 |
Composition | C (68.83%), H (4.13%), N (17.2%), O (3.27%), S (6.56%) |
Atom Count | 56 |
PI | 7.02 |
Smiles | n1c(c(n2c1scc2)c1ccnc(n1)Nc1ccccc1)c1cc(ccc1)NC(=O)c1ccccc1 |
InChI | 1S/C28H20N6OS/c35-26(19-8-3-1-4-9-19)30-22-13-7-10-20(18-22)24-25(34-16-17-36-28(34)33-24)23-14-15-2
9-27(32-23)31-21-11-5-2-6-12-21/h1-18H,(H,30,35)(H,29,31,32) |
InChIKey | BBYDGVLJODYSJL-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 |
46886311
|
Drug Bank Link | - |
ChemSpider Link | 24670563 |
ChEMBL Link | CHEMBL1093234 |