General Information of the Compound
| Compound ID |
CP0385046
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-(3-chlorophenoxy)hexyl]piperidine;oxalic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H28ClNO5
|
||||||||||||||||||
| Molecular Weight |
385.888
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C(O)=O.Clc1cccc(OCCCCCCN2CCCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H26ClNO.C2H2O4/c18-16-9-8-10-17(15-16)20-14-7-2-1-4-11-19-12-5-3-6-13-19;3-1(4)2(5)6/h8-10,15H,1-7,11-14H2;(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLGWSRSSIBJDBO-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