General Information of the Compound
| Compound ID |
CP0454957
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-4-(2'-methoxyphenyl)piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34N2O3
|
||||||||||||||||||
| Molecular Weight |
446.591
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2ccccc2OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N2O3/c1-31-25-10-7-8-23(22-25)14-15-24-9-3-5-12-27(24)33-21-20-29-16-18-30(19-17-29)26-11-4-6-13-28(26)32-2/h3-13,22H,14-21H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSDFRRJDAYISQR-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