General Information of the Compound
| Compound ID |
CP0447926
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]-3-(trifluoromethoxy)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H32F3N3O4S
|
||||||||||||||||||
| Molecular Weight |
491.576
|
||||||||||||||||||
| Canonical SMILES |
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2cccc(OC(F)(F)F)c2)CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H32F3N3O4S/c1-2-15-33(30,31)28-13-11-27(12-14-28)21(9-4-3-5-10-21)17-26-20(29)18-7-6-8-19(16-18)32-22(23,24)25/h6-8,16H,2-5,9-15,17H2,1H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YZRAOMKEBFFPII-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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2