General Information of the Compound
| Compound ID |
CP0490854
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[2-(2,4-difluorophenyl)-2-fluoroethyl]piperidin-4-yl]-N-phenylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25F3N2O
|
||||||||||||||||||
| Molecular Weight |
390.449
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N(C1CCN(CC(F)c2ccc(F)cc2F)CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25F3N2O/c1-2-22(28)27(17-6-4-3-5-7-17)18-10-12-26(13-11-18)15-21(25)19-9-8-16(23)14-20(19)24/h3-9,14,18,21H,2,10-13,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FJXRHQMYUOVNNB-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