General Information of the Compound
| Compound ID |
CP0416281
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(4-fluorophenyl)-2-[[6-(trifluoromethyl)pyridin-3-yl]oxymethyl]thieno[3,2-b]pyridine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H13F4N3O2S
|
||||||||||||||||||
| Molecular Weight |
447.413
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3ccc(nc3)C(F)(F)F)cc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H13F4N3O2S/c22-12-3-1-11(2-4-12)15-8-17(20(26)29)28-16-7-14(31-19(15)16)10-30-13-5-6-18(27-9-13)21(23,24)25/h1-9H,10H2,(H2,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OUYBRWWLOKSUHT-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