General Information of the Compound
| Compound ID |
CP0479222
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9181219, 2-{[3-ethyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-(8-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21F3N2OS
|
||||||||||||||||||
| Molecular Weight |
394.462
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(cnc1SCC(=O)N1CCCc2cccc(C)c12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21F3N2OS/c1-3-14-10-16(20(21,22)23)11-24-19(14)27-12-17(26)25-9-5-8-15-7-4-6-13(2)18(15)25/h4,6-7,10-11H,3,5,8-9,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKSGEVCSNCNGJM-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