General Information of the Compound
| Compound ID |
CP0407628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4R)-4-[(E)-5-(2-phenylphenyl)pent-4-enyl]piperidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27NO2
|
||||||||||||||||||
| Molecular Weight |
349.474
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@H]1CNCC[C@H]1CCC\C=C\c1ccccc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27NO2/c25-23(26)22-17-24-16-15-20(22)12-6-2-5-11-19-13-7-8-14-21(19)18-9-3-1-4-10-18/h1,3-5,7-11,13-14,20,22,24H,2,6,12,15-17H2,(H,25,26)/b11-5+/t20-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UNEHRSDPAQUURC-WISCCHKTSA-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