General Information of the Compound
| Compound ID |
CP0557941
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 3-[4-(piperidin-1-ylmethyl)phenyl]benzoate
Show/Hide
|
||||||||||||||||||
| Formula |
C21H25NO2
|
||||||||||||||||||
| Molecular Weight |
323.436
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cccc(c1)-c1ccc(CN2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25NO2/c1-2-24-21(23)20-8-6-7-19(15-20)18-11-9-17(10-12-18)16-22-13-4-3-5-14-22/h6-12,15H,2-5,13-14,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KJGKJNHGYKGICW-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 | |||||||||||||||||||
| 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