General Information of the Compound
| Compound ID |
CP0949875
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-(2-(4-ethoxyphenyl)-2-(4-(2-methoxyethyl)piperazin-1-yl)ethyl)-1,4'-bipiperidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H46N4O2
|
||||||||||||||||||
| Molecular Weight |
458.691
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(C(CN2CCC(N3CCCCC3)CC2)N2CCN(CCOC)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H46N4O2/c1-3-33-26-9-7-24(8-10-26)27(31-19-17-28(18-20-31)21-22-32-2)23-29-15-11-25(12-16-29)30-13-5-4-6-14-30/h7-10,25,27H,3-6,11-23H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FHLWAKJKSJHJEL-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