General Information of the Compound
| Compound ID |
CP0380468
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[(Z)-2-(2-benzoylphenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25NO4
|
||||||||||||||||||
| Molecular Weight |
379.456
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1CCCN(CCO\C=C/c2ccccc2C(=O)c2ccccc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25NO4/c25-22(19-8-2-1-3-9-19)21-11-5-4-7-18(21)12-15-28-16-14-24-13-6-10-20(17-24)23(26)27/h1-5,7-9,11-12,15,20H,6,10,13-14,16-17H2,(H,26,27)/b15-12-
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKZPHUGDGQVTRJ-QINSGFPZSA-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