General Property |
Molceule ID (DB) | EGIN0000801 |
Inhibitor Class | Unknown |
Molecule Name in Refrence Article | 30 compound |
IUPAC Name | (3E)-5-iodo-3-[2-(quinolin-8-yl)hydrazin-1-ylidene]-2,3-dihydro-1H-indol-2-one |
Formula | C17H11IN4O |
Mass | 414.1999 |
Exact Mass | 413.9977544 |
Composition | C (49.3%), H (2.68%), I (30.64%), N (13.53%), O (3.86%) |
Atom Count | 34 |
PI | 6.29 |
Smiles | c1ccc2c(n1)c(ccc2)N/N=C1/C(=O)Nc2c1cc(cc2)I |
InChI | 1S/C17H11IN4O/c18-11-6-7-13-12(9-11)16(17(23)20-13)22-21-14-5-1-3-10-4-2-8-19-15(10)14/h1-9,21H,(H,2
0,22,23) |
InChIKey | BKYVUNJVVPONMC-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 | 16413185 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
5723977
|
Drug Bank Link | - |
ChemSpider Link | 4658885 |
ChEMBL Link | - |