General Information of the Compound
| Compound ID |
CP0871037
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(3-(4-Chlorophenoxy)propoxy)propyl]-4-methylpiperidine hydrogen oxalate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H30ClNO6
|
||||||||||||||||||
| Molecular Weight |
415.914
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CCCOCCCOc2ccc(Cl)cc2)CC1.O=C(O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H28ClNO2.C2H2O4/c1-16-8-11-20(12-9-16)10-2-13-21-14-3-15-22-18-6-4-17(19)5-7-18;3-1(4)2(5)6/h4-7,16H,2-3,8-15H2,1H3;(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGXDKLFANMAOKZ-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