General Property |
Molceule ID (DB) | EGIN0002381 |
Inhibitor Class | Imidazo-thiazole |
Molecule Name in Refrence Article | 4 compound |
IUPAC Name | N-{3-[5-(2-amino-1H-1,3-benzodiazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}-2-chlorobenzamide |
Formula | C25H17ClN6OS |
Mass | 484.96 |
Exact Mass | 484.0873076 |
Composition | C (61.92%), H (3.53%), Cl (7.31%), N (17.33%), O (3.3%), S (6.61%) |
Atom Count | 51 |
PI | 9.4 |
Smiles | n1c(c(n2c1scc2)c1ccc2c(c1)[nH]c(n2)N)c1cc(ccc1)NC(=O)c1ccccc1Cl |
InChI | 1S/C25H17ClN6OS/c26-18-7-2-1-6-17(18)23(33)28-16-5-3-4-14(12-16)21-22(32-10-11-34-25(32)31-21)15-8-9
-19-20(13-15)30-24(27)29-19/h1-13H,(H,28,33)(H3,27,29,30) |
InChIKey | XQFKEPZMCJQYEV-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 |
46886244
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Drug Bank Link | - |
ChemSpider Link | 24679098 |
ChEMBL Link | CHEMBL1093486 |