General Property |
Molceule ID (DB) | EGIN0001811 |
Inhibitor Class | Thieno-pyridine |
Molecule Name in Refrence Article | 38 compound |
IUPAC Name | 1-[(4-{7-[(1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl}phenyl)methyl]piperidine-4-carboxamide |
Formula | C28H27N5OS |
Mass | 481.612 |
Exact Mass | 481.1936312 |
Composition | C (69.83%), H (5.65%), N (14.54%), O (3.32%), S (6.66%) |
Atom Count | 62 |
PI | 12.67 |
Smiles | s1c(cc2c1c(Nc1cc3c([nH]cc3)cc1)ccn2)c1ccc(CN2CC[C@H](C(=O)N)CC2)cc1 |
InChI | 1S/C28H27N5OS/c29-28(34)20-9-13-33(14-10-20)17-18-1-3-19(4-2-18)26-16-25-27(35-26)24(8-12-31-25)32-2
2-5-6-23-21(15-22)7-11-30-23/h1-8,11-12,15-16,20,30H,9-10,13-14,17H2,(H2,29,34)(H,31,32) |
InChIKey | ULUUNYJTTJIXHY-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 | 14684289 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR | |
Pub Chem Link |
44317138
|
Drug Bank Link | - |
ChemSpider Link | 23169268 |
ChEMBL Link | CHEMBL431977 |