General Property |
Molceule ID (DB) | EGIN0004620 |
Inhibitor Class | Indazole |
Molecule Name in Refrence Article | 14a |
IUPAC Name | {2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imidazol-1-yl]ethyl}dimethylamine |
Formula | C20H20FN5 |
Mass | 349.4047 |
Exact Mass | 349.1702739 |
Composition | C (68.75%), H (5.77%), F (5.44%), N (20.04%) |
Atom Count | 46 |
PI | 11.29 |
Smiles | n1c(c(n(c1)CCN(C)C)c1cc2cn[nH]c2cc1)c1ccc(cc1)F |
InChI | 1S/C20H20FN5/c1-25(2)9-10-26-13-22-19(14-3-6-17(21)7-4-14)20(26)15-5-8-18-16(11-15)12-23-24-18/h3-8,
11-13H,9-10H2,1-2H3,(H,23,24) |
InChIKey | BMFRTFUXTDHARJ-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 | 21288717 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Kdr | Pim1 | Rock2 | Gsk3b | Aurora2 | Pak4 | Jak2 | ALL |
Pub Chem Link |
25165279
|
Drug Bank Link | - |
ChemSpider Link | 26388383 |
ChEMBL Link | CHEMBL1682557 |