General Information of the Compound
| Compound ID |
CP0845947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-(3-Methoxyphenyl)-2-piperazin-1-ylethyl]cyclohexanol Dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H32Cl2N2O2
|
||||||||||||||||||
| Molecular Weight |
391.383
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(C(CN2CCNCC2)C2(O)CCCCC2)c1.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H30N2O2.2ClH/c1-23-17-7-5-6-16(14-17)18(15-21-12-10-20-11-13-21)19(22)8-3-2-4-9-19;;/h5-7,14,18,20,22H,2-4,8-13,15H2,1H3;2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZASZYPPXOGNZRV-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