General Information of the Compound
| Compound ID |
CP0525786
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[benzyl(methyl)amino]methyl]-2-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19F3N2O
|
||||||||||||||||||
| Molecular Weight |
360.379
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccccc1)Cc1c(C)[nH]c2cc(ccc2c1=O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19F3N2O/c1-13-17(12-25(2)11-14-6-4-3-5-7-14)19(26)16-9-8-15(20(21,22)23)10-18(16)24-13/h3-10H,11-12H2,1-2H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GWYZTQXRTMPWNK-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
Protein ID: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1