General Property |
Molceule ID (DB) | EGIN0004417 |
Inhibitor Class | Indazole |
Molecule Name in Refrence Article | 9d |
IUPAC Name | 4-(1H-indazol-5-yl)-N-phenyl-1,3-thiazol-2-amine |
Formula | C16H12N4S |
Mass | 292.358 |
Exact Mass | 292.0782671 |
Composition | C (65.73%), H (4.14%), N (19.16%), S (10.97%) |
Atom Count | 33 |
PI | 7.63 |
Smiles | c1(Nc2ccccc2)nc(cs1)c1cc2cn[nH]c2cc1 |
InChI | 1S/C16H12N4S/c1-2-4-13(5-3-1)18-16-19-15(10-21-16)11-6-7-14-12(8-11)9-17-20-14/h1-10H,(H,17,20)(H,18
,19) |
InChIKey | CTJAMSGCMYAVCZ-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 | Pim1 | Rock2 | Aurora2 | Gsk3b | Kdr | Pak4 | ALL |
Pub Chem Link |
25167075
|
Drug Bank Link | - |
ChemSpider Link | 24808955 |
ChEMBL Link | CHEMBL1682545 |