General Information of the Compound
| Compound ID |
CP0521382
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-amino-4-methyl-7-oxo-N-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-6H-thieno[2,3-c]pyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14F3N3O4S2
|
||||||||||||||||||
| Molecular Weight |
445.444
|
||||||||||||||||||
| Canonical SMILES |
Cc1c[nH]c(=O)c2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14F3N3O4S2/c1-8-6-22-15(24)13-11(8)12(21)14(28-13)16(25)23-7-9-2-4-10(5-3-9)29(26,27)17(18,19)20/h2-6H,7,21H2,1H3,(H,22,24)(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GXJNAOPYNVUKDT-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound