General Information of the Compound
| Compound ID |
CP0416211
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-[[4-(3-methoxypyridin-2-yl)piperidin-1-yl]methyl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H31N3O3
|
||||||||||||||||||
| Molecular Weight |
361.486
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCC(CN2CCC(CC2)c2ncccc2OC)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H31N3O3/c1-3-26-20(24)23-13-6-16(7-14-23)15-22-11-8-17(9-12-22)19-18(25-2)5-4-10-21-19/h4-5,10,16-17H,3,6-9,11-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKQLYZIZEXQATB-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