General Information of the Compound
| Compound ID |
CP0426005
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-1-methylpiperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29F2N3O2
|
||||||||||||||||||
| Molecular Weight |
393.478
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)C(=O)N(CC(=O)Nc1cc(F)cc(F)c1)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29F2N3O2/c1-25-9-7-15(8-10-25)21(28)26(19-5-3-2-4-6-19)14-20(27)24-18-12-16(22)11-17(23)13-18/h11-13,15,19H,2-10,14H2,1H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WIEVULHEKZQWJP-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