General Information of the Compound
| Compound ID |
CP0505336
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-1-[(E)-4-(2-fluorophenyl)-4-[2-(trifluoromethoxy)phenyl]but-3-enyl]piperidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23F4NO3
|
||||||||||||||||||
| Molecular Weight |
437.433
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@@H]1CCCN(CC\C=C(\c2ccccc2F)c2ccccc2OC(F)(F)F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23F4NO3/c24-20-11-3-1-8-18(20)17(19-9-2-4-12-21(19)31-23(25,26)27)10-6-14-28-13-5-7-16(15-28)22(29)30/h1-4,8-12,16H,5-7,13-15H2,(H,29,30)/b17-10-/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SQIPXGAJYDVRLC-FNTDYBJHSA-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