General Property |
Molceule ID (DB) | EGIN0002398 |
Inhibitor Class | Imidazo-thiazole |
Molecule Name in Refrence Article | 27 compound |
IUPAC Name | N-[3-(5-{2-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide |
Formula | C33H29N7OS |
Mass | 571.695 |
Exact Mass | 571.2154293 |
Composition | C (69.33%), H (5.11%), N (17.15%), O (2.8%), S (5.61%) |
Atom Count | 71 |
PI | 11.17 |
Smiles | c12nc(c(n1ccs2)c1ccnc(n1)Nc1ccc2c(c1)CN(CC2)C)c1cc(ccc1)NC(=O)Cc1ccccc1 |
InChI | 1S/C33H29N7OS/c1-39-15-13-23-10-11-27(20-25(23)21-39)36-32-34-14-12-28(37-32)31-30(38-33-40(31)16-17
-42-33)24-8-5-9-26(19-24)35-29(41)18-22-6-3-2-4-7-22/h2-12,14,16-17,19-20H,13,15,18,21H2,1H3,(H,35,4
1)(H,34,36,37) |
InChIKey | PVKPCQULPTYIRN-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002398.png) | Structure Backbone | ![](./frame/f_EGIN0002398.png) |
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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 | - |