General Information of the Compound
| Compound ID |
CP0166335
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2,4-dichlorophenyl)methyl]-4-(3-methylsulfonylphenoxy)piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22Cl2N2O4S
|
||||||||||||||||||
| Molecular Weight |
457.379
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1cccc(OC2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22Cl2N2O4S/c1-29(26,27)18-4-2-3-17(12-18)28-16-7-9-24(10-8-16)20(25)23-13-14-5-6-15(21)11-19(14)22/h2-6,11-12,16H,7-10,13H2,1H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEPNGNWMMYJWPW-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